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

Systemtic Name: 2,4-dimethyl-6-(2-methylphenyl)-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-7-(3-nitrophenyl)-6-(o-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-(2-methylphenyl)-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-(2-methylphenyl)-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-7-(3-nitrophenyl)-6-(o-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O4/c1-13-7-4-5-10-16(13)27-17(14-8-6-9-15(11-14)28(31)32)12-26-18-19(23-21(26)27)24(2)22(30)25(3)20(18)29/h4-12H,1-3H3