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 Clc1cccc2[nH]cc3nc(-c4ccon4)nc-3c12

InChI InChI=1S/C13H7ClN4O/c14-7-2-1-3-8-11(7)12-10(6-15-8)16-13(17-12)9-4-5-19-18-9/h1-6,15H

InChIKey UGBPFFAIXKJHQK-UHFFFAOYSA-N

Molecular Weight

270.68