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 CCC(c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1

InChI

InChI=1S/C20H27N5/c1-2-19(18-11-5-7-13-22-18)25(14-8-6-12-21)15-20-23-16-9-3-4-10-17(16)24-20/h3-5,7,9-11,13,19H,2,6,8,12,14-15,21H2,1H3,(H,23,24)

InChIKey CBTBTGVOMAJKEB-UHFFFAOYSA-N

Molecular Weight

337.47