6-(2-methoxy-4-methyl-phenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-methoxy-4-methyl-phenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-methoxy-4-methyl-phenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-methoxy-4-methylphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-methoxy-4-methylphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-methoxy-4-methyl-phenyl)-2,4-dimethyl-7-(4-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C23H20N6O5 MolecularWeight: 460.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C23H20N6O5/c1-13-5-10-16(18(11-13)34-4)28-17(14-6-8-15(9-7-14)29(32)33)12-27-19-20(24-22(27)28)25(2)23(31)26(3)21(19)30/h5-12H,1-4H3