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

Systemtic Name: 6-(4-chlorophenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-chlorophenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-chlorophenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-chlorophenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-chlorophenyl)-2,4-dimethyl-7-(3-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H15ClN6O4 MolecularWeight: 450.8346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN6O4/c1-24-18-17(19(29)25(2)21(24)30)26-11-16(12-4-3-5-15(10-12)28(31)32)27(20(26)23-18)14-8-6-13(22)7-9-14/h3-11H,1-2H3