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

Systemtic Name: 8-[(E)-2-(3-bromanyl-4-fluoranyl-phenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-bromo-4-fluoro-phenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-bromo-4-fluoro-phenyl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C18H18BrFN4O2 MolecularWeight: 421.263523

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrFN4O2/c1-4-23-16-15(17(25)24(5-2)18(23)26)22(3)14(21-16)9-7-11-6-8-13(20)12(19)10-11/h6-10H,4-5H2,1-3H3/b9-7+