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 CCn1ccnc1-c1cc2ccccc2o1.Cl

InChI InChI=1S/C13H12N2O.ClH/c1-2-15-8-7-14-13(15)12-9-10-5-3-4-6-11(10)16-12;/h3-9H,2H2,1H3;1H

InChIKey LKVNFGLGWXRMJE-UHFFFAOYSA-N

Molecular Weight

248.71