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 COCc1cccc(Cc2cnc(N)nc2N)c1

InChI InChI=1S/C13H16N4O/c1-18-8-10-4-2-3-9(5-10)6-11-7-16-13(15)17-12(11)14/h2-5,7H,6,8H2,1H3,(H4,14,15,16,17)

InChIKey AWRSFYZUXOPKGI-UHFFFAOYSA-N

Molecular Weight

244.3