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
O=C(c1ccncc1)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1
InChI=1S/C21H17N3O3/c25-16-7-5-14(6-8-16)19-13-18(17-3-1-2-4-20(17)26)23-24(19)21(27)15-9-11-22-12-10-15/h1-12,19,25-26H,13H2/t19-/m0/s1
GPMXXCIRZADXPQ-IBGZPJMESA-N
359.39