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 Cc1cccnc1CN(CCCCN)C1CCCc2cccnc21

InChI

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

InChIKey DYIVWDFUVRUDQO-UHFFFAOYSA-N

Molecular Weight

324.47