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 CCNCCNc1cc(C2CCCC2)c(C#N)c2nc3ccccc3n12

InChI

InChI=1S/C21H25N5/c1-2-23-11-12-24-20-13-16(15-7-3-4-8-15)17(14-22)21-25-18-9-5-6-10-19(18)26(20)21/h5-6,9-10,13,15,23-24H,2-4,7-8,11-12H2,1H3

InChIKey NRIZOBCKUZLADQ-UHFFFAOYSA-N

Molecular Weight

347.47