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 NCCCCN(Cc1ncccc1CO)C1CCCc2cccnc21

InChI

InChI=1S/C20H28N4O/c21-10-1-2-13-24(14-18-17(15-25)8-5-11-22-18)19-9-3-6-16-7-4-12-23-20(16)19/h4-5,7-8,11-12,19,25H,1-3,6,9-10,13-15,21H2

InChIKey MQCSNBRPBJWQDO-UHFFFAOYSA-N

Molecular Weight

340.47