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
Cl.O=C(NCCN1CCN(c2cccc3ccccc23)CC1)c1ccccn1
InChI=1S/C22H24N4O.ClH/c27-22(20-9-3-4-11-23-20)24-12-13-25-14-16-26(17-15-25)21-10-5-7-18-6-1-2-8-19(18)21;/h1-11H,12-17H2,(H,24,27);1H
MCCUFODSHVSQEK-UHFFFAOYSA-N
396.92