CAFFEINE, 8-((3-(DIMETHYLAMINO)PROPYL)THIO)-, HYDROCHLORIDE

Molecular Formula: C13H22ClN5O2S


InChI: InChI=1/C13H21N5O2S.ClH/c1-15(2)7-6-8-21-12-14-10-9(16(12)3)11(19)18(5)13(20)17(10)4;/h6-8H2,1-5H3;1H/fC13H22N5O2S.Cl/h15H;1h/q+1;-1

InChIKey: InChIKey=UTGUENHLJOBSTO-XBJLVWETCO
SMILES: CN1C2=C(N=C1SCCC[NH+](C)C)N(C(=O)N(C2=O)C)C.[Cl-]

Names:
    CAFFEINE, 8-((3-(DIMETHYLAMINO)PROPYL)THIO)-, HYDROCHLORIDE
    dimethyl-[3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropyl]azanium chloride
    24851-39-6
    8-((3-(Dimethylamino)propyl)thio)caffeine hydrochloride

Registries:
    PubChem CID 32717
    PubChem ID 174639