Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccccn2)c1OC
InChI=1S/C22H22N6O3/c1-23-22(30)19-17(12-18(27-28-19)26-21(29)13-9-10-13)25-16-8-5-6-14(20(16)31-2)15-7-3-4-11-24-15/h3-8,11-13H,9-10H2,1-2H3,(H,23,30)(H2,25,26,27,29)/i1D3
HPDPFIBPARAITL-FIBGUPNXSA-N
421.48