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(Cc1cccc(N)n1)C1CCCc2cccnc21

InChI

InChI=1S/C19H27N5/c20-11-1-2-13-24(14-16-8-4-10-18(21)23-16)17-9-3-6-15-7-5-12-22-19(15)17/h4-5,7-8,10,12,17H,1-3,6,9,11,13-14,20H2,(H2,21,23)

InChIKey CNYCEOXPILIJJN-UHFFFAOYSA-N

Molecular Weight

325.46