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 CCCCOc1nsnc1OC1CNC1

InChI InChI=1S/C9H15N3O2S/c1-2-3-4-13-8-9(12-15-11-8)14-7-5-10-6-7/h7,10H,2-6H2,1H3

InChIKey HDJWOXFOVDRNKD-UHFFFAOYSA-N

Molecular Weight

229.3