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 Brc1ccc2nc(-c3ccccc3Br)nn2c1

InChI InChI=1S/C12H7Br2N3/c13-8-5-6-11-15-12(16-17(11)7-8)9-3-1-2-4-10(9)14/h1-7H

InChIKey XRYLOVUFSCWBPU-UHFFFAOYSA-N

Molecular Weight

353.02