CAFFEINE, 8-MERCAPTO-, HYDROCHLORIDE

Molecular Formula: C₈H₁₁ClN₄O₂S

InChI: InChI=1/C8H10N4O2S.ClH/c1-10-4-5(9-7(10)15)11(2)8(14)12(3)6(4)13;/h1-3H3,(H,9,15);1H/fC8H11N4O2S.Cl/h9-10H;1h/q+1;-1

InChIKey: InChIKey=VJTLRONPTOKCQJ-ZRFJSSTOCT
SMILES: C[NH+]1C2=C(NC1=S)N(C(=O)N(C2=O)C)C.[Cl-]

Names:
    CAFFEINE, 8-MERCAPTO-, HYDROCHLORIDE
    1H-Purine-2,6-dione, 3,7-dihydro-8-mercapto-1,3,7-trimethyl-, monohydrochloride
    1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione chloride
    56223-58-6
    8-Mercaptocaffeine hydrochloride

Registries:
    PubChem CID 3033115
    PubChem ID 182456