CAFFEINE, 8-((2-(DIMETHYLAMINO)ETHYL)THIO)-, HYDROCHLORIDE

Molecular Formula: C12H20ClN5O2S


InChI: InChI=1/C12H19N5O2S.ClH/c1-14(2)6-7-20-11-13-9-8(15(11)3)10(18)17(5)12(19)16(9)4;/h6-7H2,1-5H3;1H/fC12H20N5O2S.Cl/h14H;1h/q+1;-1

InChIKey: InChIKey=WBLULWILRWOFRZ-AEYRNMJWCW
SMILES: CN1C2=C(N=C1SCC[NH+](C)C)N(C(=O)N(C2=O)C)C.[Cl-]

Names:
    CAFFEINE, 8-((2-(DIMETHYLAMINO)ETHYL)THIO)-, HYDROCHLORIDE
    dimethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]azanium chloride
    24851-37-4
    8-((2-(Dimethylamino)ethyl)thio)caffeine hydrochloride

Registries:
    PubChem CID 32713
    PubChem ID 174637