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 C1=C(c2cccs2)C2CCN1CC2

InChI InChI=1S/C11H13NS/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7-9H,3-6H2

InChIKey BYOZMAAKKNZOCN-UHFFFAOYSA-N

Molecular Weight

191.3