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Chemical Drawing Atlas

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All features

Structure to name

A drawn structure produces a systematic name.

49 tools have this, 17 of them shown here. 53 do not. 26 not established.

What powers it: PubChem PUG REST web service (2), In-house (ChemStruct=Name, bundled naming algorithms) (1), Ported from openclatura (Rust) (1), PubChem PUG REST (remote SMILES-to-IUPACName lookup) (1), In-house (TypeScript IUPAC namer); OPSIN (JavaScript compiled from Java with TeaVM, round-trip validation); Indigo (WebAssembly InChI comparison) (1), Orthonym 1.0.8 (optional local Python sidecar; RDKit Python and OPSIN/centres Java JARs via JPype) (1), Orthonym (remote server), validated with OPSIN; PubChem web service for known compounds (1), Chempirical catalogue web service; PubChem web service (existing-name lookup) (1), Octet Draw namer/complexes TypeScript transpiled to bundled JavaScript unchanged; optional desktop openclatura Python subprocess with RDKit; OPSIN read-back verification (1), PubChem PUG REST (remote web service, IUPACName lookup by SMILES) (1), OpenClatura 0.4.3 (Python wheel in Pyodide 314.0.7 WebAssembly, local worker); OPSIN (TeaVM JavaScript) and RDKit MinimalLib (WebAssembly) round-trip validation (1), In-house (chematic-iupac, Rust/WebAssembly; limited-scope IUPAC naming) (1), PubChem web service (IUPAC-name record lookup via site server proxy) (1), PubChem PUG REST web service (Python client; exact structure matches) (1), In-house (browser naming rules and common-name dictionary); OpenChemLib (browser JavaScript canonical-SMILES/IDCode matching) (1), PubChem PUG REST (remote API) (1), PubChem PUG REST web service (remote IUPACName lookup by SMILES) (1), In-house ChemDoodle Java API (remote iChemLabs CloudServices; generateIUPACName) (1), PubChem PUG REST web service (optional PubChem Structure Identifier Python plugin; matched IUPAC names) (1), PubChem web service (IUPAC-name lookup) (1), In-house (TypeScript IUPAC and Chinese naming rules); PubChem PUG REST and NCI CACTUS (remote server fallbacks) (1), In-house (Molsoft libchem, WebAssembly; asm.js fallback) (1), In-house (Python naming rules); RDKit (Python molecular graph) (1), NCI Chemical Identifier Resolver (remote server, official demo) (1), PubChem PUG REST (remote web service, through Rails server) (1), NIST Chemistry WebBook (remote HTTP name lookup by InChI through legacy Python plugin) (1), In-house (ChemDoodle Java API IUPAC naming algorithms, local) (1), PubChem web service (PUG REST SMILES-to-IUPACName lookup) (1), In-house Chemaxon Structure to Name (local Java; MolExporter name module) (1), In-house Chemaxon Structure to Name (remote Java web service through MolConvert/molconvertws; separate naming license) (1), OpenEye Lexichem Toolkit (integrated library; binding undisclosed) (1), In-house (ACD/Name Freeware proprietary desktop module; limited structure naming) (1), In-house Marvin Web Services IUPAC naming (remote Java service) (1), Chem4Word ChemicalServices Resolve API (remote server; underlying naming engine undisclosed) (1), In-house offline-iupac-v1-curve-2132624 Core ML model; OPSINSwift identity validation (1), PubChem PUG REST (remote server, SMILES-to-IUPACName lookup) (1), In-house (Nomenclator desktop module) (1), PubChem web service (1), PubChem PUG REST (remote IUPACName property lookup through Python urllib) (1)

  • Tested by running it
  • Seen in the app
  • The manual says yes
  • Partly, with the reason shown
  • Not supported
  • Not established, which is not the same as no

Select a mark for its proof. A filled mark opens our screenshot, or the manual if the check left nothing to picture. A ring opens the manual.

Selected L-alanine and its generated name, marked Preferred IUPAC name.

Yes, tested by running it: Alanine generated (2S)-2-aminopropanoic acid using local subset rules. ReShiki

0.14.0

Uses Ported from openclatura (Rust)

Selected L-alanine and its generated name, marked Preferred IUPAC name.

Caffeine molecule details show its IUPAC name.

Yes, tested by running it: Caffeine details displayed 1,3,7-trimethylpurine-2,6-dione. MolDraw

4.0

Uses PubChem PUG REST (remote SMILES-to-IUPACName lookup)

Caffeine molecule details show its IUPAC name.

Copied name: 1,3,7-trimethylpurine-2,6-dione.

Yes, tested by running it: Caffeine returned 1,3,7-trimethylpurine-2,6-dione via Copy As IUPAC Name. Penzene

2.0.0

Uses PubChem PUG REST web service

Copied name: 1,3,7-trimethylpurine-2,6-dione.

Caffeine structure and systematic name on the canvas.

Yes, tested by running it: Generated caffeine systematic name as canvas text. Octet Draw

1.1.0

Uses In-house (TypeScript IUPAC namer); OPSIN (JavaScript compiled from Java with TeaVM, round-trip validation); Indigo (WebAssembly InChI comparison)

Caffeine structure and systematic name on the canvas.

Ethanol structure and generated name appear on the canvas.

Yes, tested by running it: Ethanol named after installing official Orthonym plugin v0.1.0. ChemDraft

1.1.0

Uses Orthonym 1.0.8 (optional local Python sidecar; RDKit Python and OPSIN/centres Java JARs via JPype)

Ethanol structure and generated name appear on the canvas.

Caffeine structure and its systematic name.

Yes, tested by running it: Caffeine drawing displayed a systematic name. SketchIQ

dpl_44ysNf1Cbx9iepy8z4SrXP7…

Uses Orthonym (remote server), validated with OPSIN; PubChem web service for known compounds

Caffeine structure and its systematic name.

Caffeine structure and its name in the structure panel.

Partly: Identified caffeine; systematic name generation was not demonstrated. Covalent

2uu6kqoryy

Uses Chempirical catalogue web service; PubChem web service (existing-name lookup)

Partly: Identified caffeine; systematic name generation was not demonstrated.

Caffeine structure and its name in the structure panel.

Caffeine drawing and its alternative systematic name.

Partly: Alternative naming worked; primary command failed because openclatura was absent. Reactio Draw

1.10

Uses Octet Draw namer/complexes TypeScript transpiled to bundled JavaScript unchanged; optional desktop openclatura Python subprocess with RDKit; OPSIN read-back verification

Partly: Alternative naming worked; primary command failed because openclatura was absent.

Caffeine drawing and its alternative systematic name.

Ethanol structure and generated IUPAC name.

Yes, tested by running it: Ethanol and systematic aspirin structures returned names. FreeChemDraw

3.18.0

Ethanol structure and generated IUPAC name.

Caffeine structure with its systematic name beneath it.

Yes, tested by running it: PubChem returned 1,3,7-trimethylpurine-2,6-dione for MOL caffeine. ErezDraw

178f2b5

Uses PubChem PUG REST web service (Python client; exact structure matches)

Caffeine structure with its systematic name beneath it.

Structure Name dialog displays Propan-3-ol.

Partly: CCCO returned incorrect locant: Propan-3-ol. MolChart

v1.375

Uses In-house (browser naming rules and common-name dictionary); OpenChemLib (browser JavaScript canonical-SMILES/IDCode matching)

Partly: CCCO returned incorrect locant: Propan-3-ol.

Structure Name dialog displays Propan-3-ol.

Caffeine structure with its PubChem name and CID.

Yes, tested by running it: Caffeine identified as 1,3,7-trimethylpurine-2,6-dione, CID 2519. MolCanvas

0.4.0

Uses PubChem PUG REST web service

Caffeine structure with its PubChem name and CID.

Structure to Name displays traditional and attempted preferred names.

Yes, tested by running it: Naming demo returned traditional and preferred names for caffeine. ChemDoodle Web Components

11.0.0

Uses In-house ChemDoodle Java API (remote iChemLabs CloudServices; generateIUPACName)

Structure to Name displays traditional and attempted preferred names.

Caffeine Infocard displays a common name and IUPAC name.

Yes, tested by running it: Caffeine SMILES Infocard returned common and IUPAC names via PubChem. MolView.com

2026-11-02 (5ecc001a)

Uses PubChem web service (IUPAC-name lookup)

Caffeine Infocard displays a common name and IUPAC name.

Ethylbenzene drawing and IUPAC name.

Yes, tested by running it: Changing ethane to ethene updated the IUPAC name. Molecule Builder (OvOHongYu)

0.1.0

Uses In-house (TypeScript IUPAC and Chinese naming rules); PubChem PUG REST and NCI CACTUS (remote server fallbacks)

Ethylbenzene drawing and IUPAC name.

Naming panel displays benzene as the drawn structure’s name.

Partly: Benzene named correctly; interface states limited scope. SketchScape

1.0

Uses In-house (Python naming rules); RDKit (Python molecular graph)

Partly: Benzene named correctly; interface states limited scope.

Naming panel displays benzene as the drawn structure’s name.

Molecule properties show an IUPAC name above the drawing.

Yes, tested by running it: Molecule properties returned paclitaxel IUPAC name. Ketcherails (ketcher-rails)

0.1.12

Uses PubChem PUG REST (remote web service, through Rails server)

Molecule properties show an IUPAC name above the drawing.

Available, no screenshot

ChemDraw's license keeps us from publishing pictures of its interface.

Not available

Not established (26)

chemfig, MolTouch, molsketch-cljs, Chemistry Draw, GChemPaint, Chemtool, Lhendraw, JSDraw, MoleculeSketch, FX ChemStruct / FX Draw Chemical Structures, BondDraw, ChemGraphic 2, EasyChem, MyChemise, CyBy-Draw, Elk_Draw RDKit, MolPrime+, Chirys Draw, ChemScribble, Chem Sketcher (Non_REM.Persona Laboratory), Structo, Chemograph Plus, alvaSketcher, moled, ChemWorks, Molecule

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