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(Cn2cc(CNC3CCCCCC3)nn2)cc1

InChI InChI=1S/C17H23BrN4/c18-15-9-7-14(8-10-15)12-22-13-17(20-21-22)11-19-16-5-3-1-2-4-6-16/h7-10,13,16,19H,1-6,11-12H2

InChIKey QGOXZNBUSSHYBZ-UHFFFAOYSA-N

Molecular Weight

363.3