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

Systemtic Name: 6-(2-hydroxyethyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-hydroxyethyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-hydroxyethyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-hydroxyethyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-hydroxyethyl)-2,4-dimethyl-7-(3-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C17H16N6O5 MolecularWeight: 384.34614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O5/c1-19-14-13(15(25)20(2)17(19)26)22-9-12(21(6-7-24)16(22)18-14)10-4-3-5-11(8-10)23(27)28/h3-5,8-9,24H,6-7H2,1-2H3