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

Systemtic Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-phenoxyphenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C27H20BrN5O3 MolecularWeight: 542.3834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C6=CC=C(C=C6)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C6=CC=C(C=C6)Br

InChI

InChI=1S/C27H20BrN5O3/c1-30-24-23(25(34)31(2)27(30)35)32-16-22(17-8-10-18(28)11-9-17)33(26(32)29-24)19-12-14-21(15-13-19)36-20-6-4-3-5-7-20/h3-16H,1-2H3