5-(3,5-dinitro-2-oxidanyl-phenyl)-1,3-dimethyl-6-(methylamino)pyrimidine-2,4-dione

Systemtic Name: 5-(3,5-dinitro-2-oxidanyl-phenyl)-1,3-dimethyl-6-(methylamino)pyrimidine-2,4-dione Openeye Name: 5-(2-hydroxy-3,5-dinitro-phenyl)-1,3-dimethyl-6-(methylamino)pyrimidine-2,4-dione CAS Name: 5-(2-hydroxy-3,5-dinitrophenyl)-1,3-dimethyl-6-(methylamino)pyrimidine-2,4-dione IUPAC Name: 5-(2-hydroxy-3,5-dinitrophenyl)-1,3-dimethyl-6-(methylamino)pyrimidine-2,4-dione Traditional Name: 5-(2-hydroxy-3,5-dinitro-phenyl)-1,3-dimethyl-6-(methylamino)pyrimidine-2,4-quinone Formula: C13H13N5O7 MolecularWeight: 351.27162

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)N(C(=O)N1C)C)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=O)N(C(=O)N1C)C)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O7/c1-14-11-9(12(20)16(3)13(21)15(11)2)7-4-6(17(22)23)5-8(10(7)19)18(24)25/h4-5,14,19H,1-3H3