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=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccn2)c1

InChI InChI=1S/C12H10N4O3/c17-11-5-4-10(16(18)19)7-9(11)8-14-15-12-3-1-2-6-13-12/h1-8,17H,(H,13,15)/b14-8+

InChIKey CUNAVCPCBQISRG-RIYZIHGNSA-N

Molecular Weight

258.24