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 N/C(=N\O)c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1

InChI InChI=1S/C15H14ClN3O2/c16-13-7-5-12(6-8-13)15(20)18-9-10-1-3-11(4-2-10)14(17)19-21/h1-8,21H,9H2,(H2,17,19)(H,18,20)

InChIKey ASEVLDSPXHBHND-UHFFFAOYSA-N

Molecular Weight

303.75