1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione

Molecular Formula: C₈H₁₀N₄O₂S

InChI: InChI=1/C8H10N4O2S/c1-10-4-5(9-7(10)15)11(2)8(14)12(3)6(4)13/h1-3H3,(H,9,15)/f/h9H

InChIKey: InChIKey=PBFGLXCHNDQITC-BGGKNDAXCS
SMILES: CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

Names:
    CAFFEINE, 8-MERCAPTO-
    1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-1,3,7-trimethyl-8-thioxo-
    1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione
    1790-74-5
    8-Mercaptocaffeine

Registries:
    PubChem CID 764318
    PubChem ID 159009