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

Systemtic Name: 6-(4-butylphenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-2,4-dimethyl-7-(3-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(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6O4/c1-4-5-7-16-10-12-18(13-11-16)30-20(17-8-6-9-19(14-17)31(34)35)15-29-21-22(26-24(29)30)27(2)25(33)28(3)23(21)32/h6,8-15H,4-5,7H2,1-3H3