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(-c2ccc(CC3=NCCN3)cc2)cc1

InChI InChI=1S/C16H16N2/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)12-16-17-10-11-18-16/h1-9H,10-12H2,(H,17,18)

InChIKey QZQWOXMRSZUXFA-UHFFFAOYSA-N

Molecular Weight

236.32