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
Cc1ccc(C(=O)Nc2ccc(CN3Cc4ccc(O)cc4C3)c(Cl)c2)cc1C#Cc1cnc2cccnn12
InChI=1S/C31H24ClN5O2/c1-20-4-5-22(13-21(20)7-10-27-16-33-30-3-2-12-34-37(27)30)31(39)35-26-9-6-24(29(32)15-26)18-36-17-23-8-11-28(38)14-25(23)19-36/h2-6,8-9,11-16,38H,17-19H2,1H3,(H,35,39)
WRSQALMYGAXWHY-UHFFFAOYSA-N
534.02