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 CCc1nc(N)nc(N)c1-c1cccc(OC)c1

InChI InChI=1S/C13H16N4O/c1-3-10-11(12(14)17-13(15)16-10)8-5-4-6-9(7-8)18-2/h4-7H,3H2,1-2H3,(H4,14,15,16,17)

InChIKey BCMQURZZONLYKB-UHFFFAOYSA-N

Molecular Weight

244.3