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 COc1ccc(N(C)c2nc(C)nc3oc(C)cc23)cc1.Cl

InChI InChI=1S/C16H17N3O2.ClH/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12;/h5-9H,1-4H3;1H

InChIKey WZIIUILMMRGPJL-UHFFFAOYSA-N

Molecular Weight

319.79