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 Cc1ccc(CN(CCCCN)C2CCCc3cccnc32)nc1

InChI

InChI=1S/C20H28N4/c1-16-9-10-18(23-14-16)15-24(13-3-2-11-21)19-8-4-6-17-7-5-12-22-20(17)19/h5,7,9-10,12,14,19H,2-4,6,8,11,13,15,21H2,1H3

InChIKey OPYUKWLQFVZBTO-UHFFFAOYSA-N

Molecular Weight

324.47