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 O=C1/C(=C/c2n[nH]c3ccccc23)NC(=S)N1CCO

InChI

InChI=1S/C13H12N4O2S/c18-6-5-17-12(19)11(14-13(17)20)7-10-8-3-1-2-4-9(8)15-16-10/h1-4,7,18H,5-6H2,(H,14,20)(H,15,16)/b11-7-

InChIKey IURIAYRVJIYMKR-XFFZJAGNSA-N

Molecular Weight

288.33