Theophylline (8CI), 8,8'-trimethylenedi-

Molecular Formula: C₁₇H₂₀N₈O₄

InChI: InChI=1/C17H20N8O4/c1-22-12-10(14(26)24(3)16(22)28)18-8(20-12)6-5-7-9-19-11-13(21-9)23(2)17(29)25(4)15(11)27/h5-7H2,1-4H3,(H,18,20)(H,19,21)/f/h18-19H

InChIKey: InChIKey=UHILXWREAWPVNW-VEWCPZSHCS
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Names:
    NSC14406
    Theophylline (8CI), 8,8'-trimethylenedi-
    1H-Purine-2,6-dione (9CI), 8,8'-(1, 3-propanediyl)bis(3,7-dihydro-1,3-dimethyl-
    1, 3-Bis(8-theophylline)propane
    34330-88-6
    8, 8'-Trimethylenebis[1,3-dimethylpurine-2,6(1H,3H)-dione
    8-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione

Registries:
    PubChem CID 225239
    PubChem ID 78596