dimethyl phosphate; 1-methylpyridin-1-ium; 5-nitro-1H-pyrimidine-2,4-dione

Systemtic Name: dimethyl phosphate; 1-methylpyridin-1-ium; 5-nitro-1H-pyrimidine-2,4-dione Openeye Name: dimethyl phosphate; 1-methylpyridin-1-ium; 5-nitro-1H-pyrimidine-2,4-dione CAS Name: dimethyl phosphate; 1-methylpyridin-1-ium; 5-nitro-1H-pyrimidine-2,4-dione IUPAC Name: dimethyl phosphate; 1-methylpyridin-1-ium; 5-nitro-1H-pyrimidine-2,4-dione Traditional Name: dimethyl phosphate; 1-methylpyridin-1-ium; 5-nitrouracil Formula: C12H17N4O8P MolecularWeight: 376.259141

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1.COP(=O)([O-])OC.C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1.COP(=O)([O-])OC.C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]

InChI

InChI=1S/C6H8N.C4H3N3O4.C2H7O4P/c1-7-5-3-2-4-6-7;8-3-2(7(10)11)1-5-4(9)6-3;1-5-7(3,4)6-2/h2-6H,1H3;1H,(H2,5,6,8,9);1-2H3,(H,3,4)/q+1;;/p-1