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(Nc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1
InChI=1S/C30H28N6O/c37-30(35-27-12-3-4-17-31-27)23-15-13-21(14-16-23)19-36(20-28-33-24-9-1-2-10-25(24)34-28)26-11-5-7-22-8-6-18-32-29(22)26/h1-4,6,8-10,12-18,26H,5,7,11,19-20H2,(H,33,34)(H,31,35,37)
OZRIBMWKRWFARD-UHFFFAOYSA-N
488.6