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 CSc1ccccc1NCC1=NCCN1.Cl

InChI InChI=1S/C11H15N3S.ClH/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11;/h2-5,14H,6-8H2,1H3,(H,12,13);1H

InChIKey OGDPWAJDPLTWOW-UHFFFAOYSA-N

Molecular Weight

257.79