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 Nc1nc(N)c2nc(Cc3ccccc3)[nH]c2n1

InChI InChI=1S/C12H12N6/c13-10-9-11(18-12(14)17-10)16-8(15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H5,13,14,15,16,17,18)

InChIKey AFWYNOWVYKOMGZ-UHFFFAOYSA-N

Molecular Weight

240.27