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 Cc1cccc(CN(CCCCN)C2CCCc3cccnc32)n1

InChI

InChI=1S/C20H28N4/c1-16-7-4-10-18(23-16)15-24(14-3-2-12-21)19-11-5-8-17-9-6-13-22-20(17)19/h4,6-7,9-10,13,19H,2-3,5,8,11-12,14-15,21H2,1H3

InChIKey DYNCUXHVLGCFAT-UHFFFAOYSA-N

Molecular Weight

324.47