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 CCCCN1c2ccccc2CC1C1=NCCN1

InChI InChI=1S/C15H21N3/c1-2-3-10-18-13-7-5-4-6-12(13)11-14(18)15-16-8-9-17-15/h4-7,14H,2-3,8-11H2,1H3,(H,16,17)

InChIKey FWTMUMRNEWYLOY-UHFFFAOYSA-N

Molecular Weight

243.35