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

Systemtic Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(3-pyridylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(3-pyridinylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(3-pyridylmethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H17N7O4 MolecularWeight: 431.40418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CN=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)CC4=CN=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H17N7O4/c1-24-18-17(19(29)25(2)21(24)30)27-12-16(14-5-7-15(8-6-14)28(31)32)26(20(27)23-18)11-13-4-3-9-22-10-13/h3-10,12H,11H2,1-2H3