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(c1c(Cl)c(Cl)cc2nc(O)c(O)nc12)n1ccnn1

InChI

InChI=1S/C13H11Cl2N5O2/c1-2-8(20-4-3-16-19-20)9-10(15)6(14)5-7-11(9)18-13(22)12(21)17-7/h3-5,8H,2H2,1H3,(H,17,21)(H,18,22)

InChIKey DOGKXLVAJXAQLO-UHFFFAOYSA-N

Molecular Weight

340.17