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 Cc1cccc2c1C(=O)NC1CNCCN21

InChI InChI=1S/C12H15N3O/c1-8-3-2-4-9-11(8)12(16)14-10-7-13-5-6-15(9)10/h2-4,10,13H,5-7H2,1H3,(H,14,16)

InChIKey RGCZEETYNQZRTH-UHFFFAOYSA-N

Molecular Weight

217.27