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 Clc1ccc(-c2cc3nc(N4CCCC4)c4ccccc4c3nn2)cc1

InChI

InChI=1S/C21H17ClN4/c22-15-9-7-14(8-10-15)18-13-19-20(25-24-18)16-5-1-2-6-17(16)21(23-19)26-11-3-4-12-26/h1-2,5-10,13H,3-4,11-12H2

InChIKey OWZFGYUXOZBYSM-UHFFFAOYSA-N

Molecular Weight

360.85