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 Cc1nc2c(/C=C/c3ccccc3)cccn2c1C

InChI InChI=1S/C17H16N2/c1-13-14(2)19-12-6-9-16(17(19)18-13)11-10-15-7-4-3-5-8-15/h3-12H,1-2H3/b11-10+

InChIKey LOYDZPBTPYPEFJ-ZHACJKMWSA-N

Molecular Weight

248.33