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(-c2nc3cc4ccccc4cn3n2)cc1

InChI InChI=1S/C16H10BrN3/c17-14-7-5-11(6-8-14)16-18-15-9-12-3-1-2-4-13(12)10-20(15)19-16/h1-10H

InChIKey JOOQDESTDDXJFW-UHFFFAOYSA-N

Molecular Weight

324.18