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

Systemtic Name: 6-(4-butylphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O4/c1-4-5-6-16-7-11-18(12-8-16)30-20(17-9-13-19(14-10-17)31(34)35)15-29-21-22(26-24(29)30)27(2)25(33)28(3)23(21)32/h7-15H,4-6H2,1-3H3