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 CNc1ccc(-c2ccncc2)nc1C(N)=O

InChI InChI=1S/C12H12N4O/c1-14-10-3-2-9(16-11(10)12(13)17)8-4-6-15-7-5-8/h2-7,14H,1H3,(H2,13,17)

InChIKey UWTHLLOIVQONEK-UHFFFAOYSA-N

Molecular Weight

228.25