7-(4-bromophenyl)-2,4-dimethyl-6-(2-oxidanyl-2-phenyl-ethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(2-oxidanyl-2-phenyl-ethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-bromophenyl)-6-(2-hydroxy-2-phenyl-ethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-bromophenyl)-6-(2-hydroxy-2-phenylethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-bromophenyl)-6-(2-hydroxy-2-phenylethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-bromophenyl)-6-(2-hydroxy-2-phenyl-ethyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H20BrN5O3 MolecularWeight: 494.3406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC(C4=CC=CC=C4)O)C5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC(C4=CC=CC=C4)O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H20BrN5O3/c1-26-20-19(21(31)27(2)23(26)32)29-12-17(14-8-10-16(24)11-9-14)28(22(29)25-20)13-18(30)15-6-4-3-5-7-15/h3-12,18,30H,13H2,1-2H3