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 CO/N=C(\Cl)C12CCN(CC1)C2

InChI InChI=1S/C8H13ClN2O/c1-12-10-7(9)8-2-4-11(6-8)5-3-8/h2-6H2,1H3/b10-7-

InChIKey GWMYUNBUMFCDJW-YFHOEESVSA-N

Molecular Weight

188.66