8-bromanyl-1,3-dimethyl-7-[2-oxidanylidene-1-phenyl-2-(4-phenylphenyl)ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[2-oxidanylidene-1-phenyl-2-(4-phenylphenyl)ethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-[2-oxo-1-phenyl-2-(4-phenylphenyl)ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[2-oxo-1-phenyl-2-(4-phenylphenyl)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-[2-oxo-1-phenyl-2-(4-phenylphenyl)ethyl]purine-2,6-dione Traditional Name: 8-bromo-7-[2-keto-1-phenyl-2-(4-phenylphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C27H21BrN4O3 MolecularWeight: 529.38464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)C(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)C(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21BrN4O3/c1-30-24-22(25(34)31(2)27(30)35)32(26(28)29-24)21(19-11-7-4-8-12-19)23(33)20-15-13-18(14-16-20)17-9-5-3-6-10-17/h3-16,21H,1-2H3