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 Cc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12

InChI InChI=1S/C13H12ClN5S/c1-6-9-10(15)17-13(16)19-11(9)18-12(6)20-8-4-2-3-7(14)5-8/h2-5H,1H3,(H5,15,16,17,18,19)

InChIKey HQPKDNPCULLZOT-UHFFFAOYSA-N

Molecular Weight

305.79