1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

Molecular Formula: C₁₃H₂₀N₄O₂S

InChI: InChI=1/C13H20N4O2S/c1-8(2)6-7-20-12-14-10-9(15(12)3)11(18)17(5)13(19)16(10)4/h8H,6-7H2,1-5H3

InChIKey: InChIKey=MGAOAMZOLCYPSY-UHFFFAOYAY
SMILES: CC(C)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Names:
    CAFFEINE, 8-(ISOPENTYLTHIO)-
    NSC81486
    1H-Purine-2,6-dione, 3,7-dihydro-1,3, 7-trimethyl-8-[ (3-methylbutyl)thio]-
    1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
    73747-35-0
    8-(Isopentylthio)caffeine

Registries:
    PubChem CID 52356
    PubChem ID 120593