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 COc1oc(C2=CCCN(C)C2)nc1Cc1ccccc1

InChI InChI=1S/C17H20N2O2/c1-19-10-6-9-14(12-19)16-18-15(17(20-2)21-16)11-13-7-4-3-5-8-13/h3-5,7-9H,6,10-12H2,1-2H3

InChIKey DABJXZZHVCQCEY-UHFFFAOYSA-N

Molecular Weight

284.36