1,3,7-trimethyl-8-nonylsulfanyl-purine-2,6-dione

Molecular Formula: C₁₇H₂₈N₄O₂S

InChI: InChI=1/C17H28N4O2S/c1-5-6-7-8-9-10-11-12-24-16-18-14-13(19(16)2)15(22)21(4)17(23)20(14)3/h5-12H2,1-4H3

InChIKey: InChIKey=SXZNHFFRABVGJZ-UHFFFAOYAE
SMILES: CCCCCCCCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Names:
    CAFFEINE, 8-(NONYLTHIO)-
    NSC81488
    1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8- (nonylthio)-
    1,3,7-trimethyl-8-nonylsulfanyl-purine-2,6-dione
    73747-38-3
    8-(Nonylthio)caffeine

Registries:
    PubChem CID 52359
    PubChem ID 120595