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 Oc1c(-c2ccsc2)nnc2nc3ccccc3n12

InChI InChI=1S/C13H8N4OS/c18-12-11(8-5-6-19-7-8)15-16-13-14-9-3-1-2-4-10(9)17(12)13/h1-7,18H

InChIKey AUBOCXZLRUANFR-UHFFFAOYSA-N

Molecular Weight

268.3