6-(4-methoxyphenyl)-4-methyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-methoxyphenyl)-4-methyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-methoxyphenyl)-4-methyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-methoxyphenyl)-4-methyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-methoxyphenyl)-4-methyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-methoxyphenyl)-4-methyl-7-(3-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H16N6O5 MolecularWeight: 432.38894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)C4=CC=C(C=C4)OC)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)C4=CC=C(C=C4)OC)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O5/c1-24-18-17(19(28)23-21(24)29)25-11-16(12-4-3-5-14(10-12)27(30)31)26(20(25)22-18)13-6-8-15(32-2)9-7-13/h3-11H,1-2H3,(H,23,28,29)