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 COc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1

InChI

InChI=1S/C22H20N4O/c1-27-18-13-11-17(12-14-18)24-22-25-20-10-6-5-9-19(20)21(26-22)23-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H2,23,24,25,26)

InChIKey GFDLOQVUVBBATG-UHFFFAOYSA-N

Molecular Weight

356.43