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 c1ccc(-c2nc3ncc[nH]c-3n2)nc1

InChI InChI=1S/C10H7N5/c1-2-4-11-7(3-1)8-14-9-10(15-8)13-6-5-12-9/h1-6H,(H,12,13,14,15)

InChIKey SEABXDNEUDFMBH-UHFFFAOYSA-N

Molecular Weight

197.2