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 COc1ccc(S(=O)(=O)NN=C(N)N)cc1

InChI InChI=1S/C8H12N4O3S/c1-15-6-2-4-7(5-3-6)16(13,14)12-11-8(9)10/h2-5,12H,1H3,(H4,9,10,11)

InChIKey UZQQXMFCCICKHG-UHFFFAOYSA-N

Molecular Weight

244.28