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 CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1

InChI InChI=1S/C11H14ClN3O2S/c1-18(16,17)10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)

InChIKey RNPCNKHTEISXAL-UHFFFAOYSA-N

Molecular Weight

287.77