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 CCCN(CCC)CCc1ccc(O)c2nc(O)sc12

InChI InChI=1S/C15H22N2O2S/c1-3-8-17(9-4-2)10-7-11-5-6-12(18)13-14(11)20-15(19)16-13/h5-6,18H,3-4,7-10H2,1-2H3,(H,16,19)

InChIKey CFSNGNNMGHLIPH-UHFFFAOYSA-N

Molecular Weight

294.42