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

Molecular Formula: C₁₄H₂₄ClN₅O₂S

InChI: InChI=1/C14H23N5O2S.ClH/c1-6-19(7-2)8-9-22-13-15-11-10(16(13)3)12(20)18(5)14(21)17(11)4;/h6-9H2,1-5H3;1H/fC14H24N5O2S.Cl/h19H;1h/q+1;-1

InChIKey: InChIKey=SGGGWDPUZQBKOH-INSCRCJLCU
SMILES: CC[NH+](CC)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C.[Cl-]

Names:
    CAFFEINE, 8-((2-(DIETHYLAMINO)ETHYL)THIO)-, HYDROCHLORIDE
    diethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]azanium chloride
    24851-38-5
    8-((2-(Diethylamino)ethyl)thio)caffeine hydrochloride

Registries:
    PubChem CID 32715
    PubChem ID 174638