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(Cc1ccc(Cl)cc1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
InChI=1S/C28H28ClN5O3/c29-22-12-10-20(11-13-22)16-26(35)33-34-28(37)32-25(17-21-18-31-24-9-5-4-8-23(21)24)27(36)30-15-14-19-6-2-1-3-7-19/h1-13,18,25,31H,14-17H2,(H,30,36)(H,33,35)(H2,32,34,37)
ZVTSSQGUQFITGV-UHFFFAOYSA-N
518.02