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 CCCCCCOc1nsnc1C1=CCCN(C)C1C

InChI InChI=1S/C15H25N3OS/c1-4-5-6-7-11-19-15-14(16-20-17-15)13-9-8-10-18(3)12(13)2/h9,12H,4-8,10-11H2,1-3H3

InChIKey AAALWAVFSMSWAR-UHFFFAOYSA-N

Molecular Weight

295.45