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 COc1cc2ncnc(Sc3nc[nH]n3)c2cc1OCCCN1CCOCC1

InChI

InChI=1S/C18H22N6O3S/c1-25-15-10-14-13(17(20-11-19-14)28-18-21-12-22-23-18)9-16(15)27-6-2-3-24-4-7-26-8-5-24/h9-12H,2-8H2,1H3,(H,21,22,23)

InChIKey SCMJBUNTGNFBQR-UHFFFAOYSA-N

Molecular Weight

402.48