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 N=C(N)NCc1nc(-c2c[nH]c3ccccc23)cs1

InChI InChI=1S/C13H13N5S/c14-13(15)17-6-12-18-11(7-19-12)9-5-16-10-4-2-1-3-8(9)10/h1-5,7,16H,6H2,(H4,14,15,17)

InChIKey ATBPRFXCCZLQCU-UHFFFAOYSA-N

Molecular Weight

271.35