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 Cc1n[nH]c(Nc2ccc(C#N)cc2)c1C#N

InChI InChI=1S/C12H9N5/c1-8-11(7-14)12(17-16-8)15-10-4-2-9(6-13)3-5-10/h2-5H,1H3,(H2,15,16,17)

InChIKey GPLXUOZCXJADAG-UHFFFAOYSA-N

Molecular Weight

223.24