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
OCCc1cccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)c1
InChI=1S/C22H21ClN2O/c23-17-6-2-5-16(13-17)21-14-22(19-8-3-9-20(19)25-21)24-18-7-1-4-15(12-18)10-11-26/h1-2,4-7,12-14,26H,3,8-11H2,(H,24,25)
ZQBBCONWIOAVGQ-UHFFFAOYSA-N
364.88