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 CCCSc1nsnc1OC12CCCN(CC1)C2

InChI InChI=1S/C12H19N3OS2/c1-2-8-17-11-10(13-18-14-11)16-12-4-3-6-15(9-12)7-5-12/h2-9H2,1H3

InChIKey CAMNRYWGSIAURC-UHFFFAOYSA-N

Molecular Weight

285.44