CAFFEINE, 8-((3,4-DIHYDRO-2H-PYRAN-2-YL)OXY)-

Molecular Formula: C₁₃H₁₆N₄O₄

InChI: InChI=1/C13H16N4O4/c1-15-9-10(16(2)13(19)17(3)11(9)18)14-12(15)21-8-6-4-5-7-20-8/h5,7-8H,4,6H2,1-3H3

InChIKey: InChIKey=GPWXHOLHOLBUHO-UHFFFAOYAJ
SMILES: CN1C2=C(N=C1OC3CCC=CO3)N(C(=O)N(C2=O)C)C

Names:
    CAFFEINE, 8-((3,4-DIHYDRO-2H-PYRAN-2-YL)OXY)-
    NSC 106199
    1H-Purine-2,6-dione, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)-3,7-dihydro-1,3,7-trimethyl-(9CI)
    73747-34-9
    8-((3,4-Dihydro-2H-pyran-2-yl)oxy)caffeine
    8-(3,4-dihydro-2H-pyran-2-yloxy)-1,3,7-trimethyl-purine-2,6-dione

Registries:
    PubChem CID 52355
    PubChem ID 190376