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(OCCNc2ccncc2)cc1

InChI InChI=1S/C13H14N2O/c1-2-4-13(5-3-1)16-11-10-15-12-6-8-14-9-7-12/h1-9H,10-11H2,(H,14,15)

InChIKey OUDDALRJFQCFQF-UHFFFAOYSA-N

Molecular Weight

214.27