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 Brc1ccc(-c2nc3ccc(Br)cn3n2)cc1

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

InChIKey METAKUVFAGUKGU-UHFFFAOYSA-N

Molecular Weight

353.02