SMILES to structure: paste a SMILES, get a drawing
Free AI chemical structure editor · no install · no account needed
Paste a SMILES string into MolChart's assistant and it is rendered as a clean 2D structure with correct stereo bonds. From there you can export an image for a report, a MOL file for another program, or ask for the IUPAC name.
How it works
- Open the editor.
- Paste the SMILES, e.g.
CN1C=NC2=C1C(=O)N(C(=O)N2C)C(caffeine), and press Enter. You can also write “draw CN1C=NC2=C1C(=O)N(C(=O)N2C)C”. - Use File → Export for PNG, SVG, MOL or canonical SMILES, or Analyze → Structure to name.
Examples
| Compound | SMILES | |
|---|---|---|
| Ethanol | CCO | draw |
| Benzene | c1ccccc1 | draw |
| Aspirin | CC(=O)Oc1ccccc1C(=O)O | draw |
| Caffeine | Cn1cnc2c1c(=O)n(C)c(=O)n2C | draw |
| L-Alanine | C[C@@H](C(=O)O)N | draw |
| Ibuprofen | CC(C)Cc1ccc(cc1)C(C)C(=O)O | draw |
Why use MolChart rather than a plain SMILES viewer?
- After drawing you can edit by instruction – “add a methyl on the ring”, “make it the R enantiomer”.
- The structure is checked: valence errors are flagged and named compounds are verified against PubChem.
- Name, formula, molecular weight and a 3D view are one click away.
Frequently asked questions
What is SMILES?
SMILES (Simplified Molecular-Input Line-Entry System) is a text notation for molecules. For example CCO is ethanol and c1ccccc1 is benzene. MolChart reads SMILES, including stereochemistry (@, @@, / and \) and charges.
Can I convert a structure back to SMILES?
Yes. Any structure on the canvas can be exported as canonical SMILES from the File menu, or just ask the assistant “what is the SMILES?”.
Can I convert a chemical name to SMILES?
Yes. Type the name (e.g. “paracetamol”); the assistant draws it and you can export or ask for the SMILES.
What about InChI or MOL files?
MOL files can be imported and exported. InChI is not supported as an input format yet.