CAFFEINE, 8-((beta-HYDROXY-alpha-METHYLPHENETHYL)AMINO)-

Molecular Formula: C₁₇H₂₁N₅O₃

InChI: InChI=1/C17H21N5O3/c1-10(13(23)11-8-6-5-7-9-11)18-16-19-14-12(20(16)2)15(24)22(4)17(25)21(14)3/h5-10,13,23H,1-4H3,(H,18,19)/f/h18H

InChIKey: InChIKey=NYGMAEUJKDAYMA-GPQMBLKYCP
SMILES: CC(C(C1=CC=CC=C1)O)NC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Names:
    BRN 1092139
    CAFFEINE, 8-((beta-HYDROXY-alpha-METHYLPHENETHYL)AMINO)-
    1-Phenyl-2-(caffeino-(8))-aminopropanol-(1)
    106478-67-5
    5-26-18-00312 (Beilstein Handbook Reference)
    8-(beta-Phenyl-beta-oxyisopropyl)aminocoffein [German]
    8-((beta-Hydroxy-alpha-methylphenethyl)amino)caffeine
    8-[(1-hydroxy-1-phenyl-propan-2-yl)amino]-1,3,7-trimethyl-purine-2,6-dione

Registries:
    PubChem CID 60148
    PubChem ID 196512