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 CN1CCCCC1CCn1cnc2ccccc21

InChI InChI=1S/C15H21N3/c1-17-10-5-4-6-13(17)9-11-18-12-16-14-7-2-3-8-15(14)18/h2-3,7-8,12-13H,4-6,9-11H2,1H3

InChIKey XRSDXBYSJFQJIG-UHFFFAOYSA-N

Molecular Weight

243.35