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 Nc1c2c(nc3c(Cl)cccc13)CCCC2

InChI InChI=1S/C13H13ClN2/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h3,5-6H,1-2,4,7H2,(H2,15,16)

InChIKey DREAHDLCWZKIJL-UHFFFAOYSA-N

Molecular Weight

232.71