9-methyl-3-(4-nitrophenyl)-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione

Systemtic Name: 9-methyl-3-(4-nitrophenyl)-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 9-methyl-3-(4-nitrophenyl)-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 9-methyl-3-(4-nitrophenyl)-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 9-methyl-3-(4-nitrophenyl)-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 9-methyl-3-(4-nitrophenyl)-1-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C20H15N7O4 MolecularWeight: 417.3776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3CC(=NN(C3=N2)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3CC(=NN(C3=N2)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H15N7O4/c1-24-17-16(18(28)22-20(24)29)25-11-15(12-7-9-14(10-8-12)27(30)31)23-26(19(25)21-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,22,28,29)