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 O=C(NO)c1ccc(Cn2nnc(-c3ccc4ccccc4n3)n2)cc1

InChI

InChI=1S/C18H14N6O2/c25-18(22-26)14-7-5-12(6-8-14)11-24-21-17(20-23-24)16-10-9-13-3-1-2-4-15(13)19-16/h1-10,26H,11H2,(H,22,25)

InChIKey BSSLAUBSRPDZRV-UHFFFAOYSA-N

Molecular Weight

346.35