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 Cc1nc(CN2CCCC2c2ccccn2)cc(N2CCN(C)CC2)n1

InChI

InChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3

InChIKey WMAIZIZUSVPLPP-UHFFFAOYSA-N

Molecular Weight

352.49