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

Systemtic Name: 6-(2-ethylphenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethylphenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-ethylphenyl)-2,4-dimethyl-7-(3-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C23H20N6O4 MolecularWeight: 444.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H20N6O4/c1-4-14-8-5-6-11-17(14)28-18(15-9-7-10-16(12-15)29(32)33)13-27-19-20(24-22(27)28)25(2)23(31)26(3)21(19)30/h5-13H,4H2,1-3H3