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 c1cc(-c2ccc3ccncc3c2)c2cc[nH]c2c1

InChI InChI=1S/C17H12N2/c1-2-15(16-7-9-19-17(16)3-1)13-5-4-12-6-8-18-11-14(12)10-13/h1-11,19H

InChIKey NLLICQMBXSLJAS-UHFFFAOYSA-N

Molecular Weight

244.3