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 Oc1ccc(-n2nc3ccccc3n2)cc1

InChI InChI=1S/C12H9N3O/c16-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)14-15/h1-8,16H

InChIKey GOISGGIEHSMSFC-UHFFFAOYSA-N

Molecular Weight

211.22