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

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(Cl)cc2)C3C)n1

InChI

InChI=1S/C17H16ClN5OS/c1-10-14-9-19-15(16-20-11(2)21-25-16)23(14)8-7-22(10)17(24)12-3-5-13(18)6-4-12/h3-6,9-10H,7-8H2,1-2H3

InChIKey XWKAXHYQNUMPBM-UHFFFAOYSA-N

Molecular Weight

373.87