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 Nc1cccc(-c2cn(Cc3ccc(-c4cn[nH]c4)cc3)nn2)c1

InChI

InChI=1S/C18H16N6/c19-17-3-1-2-15(8-17)18-12-24(23-22-18)11-13-4-6-14(7-5-13)16-9-20-21-10-16/h1-10,12H,11,19H2,(H,20,21)

InChIKey CQVOPNSLELWKJO-UHFFFAOYSA-N

Molecular Weight

316.37