1,3-dimethyl-5-(4-methylphenyl)-6-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-(4-methylphenyl)-6-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-(3-nitrophenyl)-5-(p-tolyl)pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-(4-methylphenyl)-6-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(4-methylphenyl)-6-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-(3-nitrophenyl)-5-(p-tolyl)pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C(=CN2C4=CC(=CC=C4)[N+](=O)[O-])N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C(=CN2C4=CC(=CC=C4)[N+](=O)[O-])N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H18N4O4/c1-13-7-9-14(10-8-13)19-18-17(22(2)21(27)23(3)20(18)26)12-24(19)15-5-4-6-16(11-15)25(28)29/h4-12H,1-3H3