Theophylline, 8-(3-p-fluorobenzoylpropyl)thio-6-thio-

Molecular Formula: C₁₇H₁₇FN₄O₂S₂

InChI: InChI=1/C17H17FN4O2S2/c1-21-14-13(15(25)22(2)17(21)24)19-16(20-14)26-9-3-4-12(23)10-5-7-11(18)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,19,20)/f/h19H

InChIKey: InChIKey=BEBDNAPSDUYCHM-LILDFLRNCF
SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCCC(=O)C3=CC=C(C=C3)F

Names:
    BRN 1175160
    Butyrophenone, p-fluoro-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2-oxo-6-thionopurin-8-ylthio)-
    BUTYROPHENONE, p-FLUORO-4-(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2-OXO-6-THIONOPURIN-8
    NSC 97998
    Theophylline, 8-((3-(p-fluorobenzoyl)propyl)thio)-6-thio- (8CI)
    Theophylline, 8-(3-p-fluorobenzoylpropyl)thio-6-thio-
    6-Thio-8-(3'-p-fluorobenzoylpropyl)thiotheophylline
    6505-98-2
    8-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Registries:
    PubChem CID 3032510
    PubChem ID 165586