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
CCCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C32H28N8/c1-3-8-30-33-27-18-17-23(32-34-26-11-6-7-12-28(26)39(32)2)19-29(27)40(30)20-21-13-15-22(16-14-21)24-9-4-5-10-25(24)31-35-37-38-36-31/h4-7,9-19H,3,8,20H2,1-2H3,(H,35,36,37,38)
CFMSUUJPNFRBBQ-UHFFFAOYSA-N
524.63