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

Systemtic Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H20N6O4 MolecularWeight: 444.4427

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H20N6O4/c1-25-20-19(21(30)26(2)23(25)31)28-14-18(16-8-10-17(11-9-16)29(32)33)27(22(28)24-20)13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3