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 NCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21

InChI

InChI=1S/C19H23N5/c20-10-12-24(13-18-22-15-7-1-2-8-16(15)23-18)17-9-3-5-14-6-4-11-21-19(14)17/h1-2,4,6-8,11,17H,3,5,9-10,12-13,20H2,(H,22,23)

InChIKey LGYLONLVNWTPCP-UHFFFAOYSA-N

Molecular Weight

321.43