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 O=c1c2cnc3ccccc3c2[nH]n1-c1cccs1

InChI InChI=1S/C14H9N3OS/c18-14-10-8-15-11-5-2-1-4-9(11)13(10)16-17(14)12-6-3-7-19-12/h1-8,16H

InChIKey KWEAVNDMFHXACO-UHFFFAOYSA-N

Molecular Weight

267.31