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 CC(=O)Nc1ccc(-n2nc3ccccc3n2)cc1

InChI InChI=1S/C14H12N4O/c1-10(19)15-11-6-8-12(9-7-11)18-16-13-4-2-3-5-14(13)17-18/h2-9H,1H3,(H,15,19)

InChIKey TWFMJPNEMHZPSR-UHFFFAOYSA-N

Molecular Weight

252.28