8-[(E)-2-(3-ethanoyl-4-fluoranyl-phenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3-ethanoyl-4-fluoranyl-phenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-acetyl-4-fluoro-phenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-acetyl-4-fluoro-phenyl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C20H21FN4O3 MolecularWeight: 384.404143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=C(C=C3)F)C(=O)C)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=C(C=C3)F)C(=O)C)C

InChI

InChI=1S/C20H21FN4O3/c1-5-24-18-17(19(27)25(6-2)20(24)28)23(4)16(22-18)10-8-13-7-9-15(21)14(11-13)12(3)26/h7-11H,5-6H2,1-4H3/b10-8+