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
N=C(N)NS(=O)(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
InChI=1S/C24H25N5O5S/c25-23(26)29-35(32,33)20-13-11-19(12-14-20)27-22(30)21(15-17-7-3-1-4-8-17)28-24(31)34-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,27,30)(H,28,31)(H4,25,26,29)/t21-/m1/s1
OAFNGMDYNNWAIT-OAQYLSRUSA-N
495.56