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(C)c1cc2c(ccc3nc(N)nc(N)c32)[nH]1

InChI InChI=1S/C13H15N5/c1-6(2)10-5-7-8(16-10)3-4-9-11(7)12(14)18-13(15)17-9/h3-6,16H,1-2H3,(H4,14,15,17,18)

InChIKey QBTNJNGOMGJBPT-UHFFFAOYSA-N

Molecular Weight

241.3