8-[(E)-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C20H23BrN4O4 MolecularWeight: 463.32502

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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=C3Br)OC)OC)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=C(C=C3Br)OC)OC)C

InChI

InChI=1S/C20H23BrN4O4/c1-6-24-18-17(19(26)25(7-2)20(24)27)23(3)16(22-18)9-8-12-10-14(28-4)15(29-5)11-13(12)21/h8-11H,6-7H2,1-5H3/b9-8+