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 CCOc1oc(C2=CCCN(C)C2)nc1C

InChI InChI=1S/C12H18N2O2/c1-4-15-12-9(2)13-11(16-12)10-6-5-7-14(3)8-10/h6H,4-5,7-8H2,1-3H3

InChIKey YKCHWWXGPFOIDE-UHFFFAOYSA-N

Molecular Weight

222.29