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

Systemtic Name: 7-[2-[4-(4-bromophenyl)phenyl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(4-bromophenyl)phenyl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(4-bromophenyl)phenyl]-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4O3/c1-24-19-18(20(28)25(2)21(24)29)26(12-23-19)11-17(27)15-5-3-13(4-6-15)14-7-9-16(22)10-8-14/h3-10,12H,11H2,1-2H3