1,3-dimethyl-5-nitro-pyrimidine-2,4-dione hydrate

Systemtic Name: 1,3-dimethyl-5-nitro-pyrimidine-2,4-dione hydrate Openeye Name: 1,3-dimethyl-5-nitro-pyrimidine-2,4-dione hydrate CAS Name: 1,3-dimethyl-5-nitropyrimidine-2,4-dione hydrate IUPAC Name: 1,3-dimethyl-5-nitropyrimidine-2,4-dione hydrate Traditional Name: 1,3-dimethyl-5-nitro-pyrimidine-2,4-quinone hydrate Formula: C6H9N3O5 MolecularWeight: 203.15276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)[N+](=O)[O-].O

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)[N+](=O)[O-].O

InChI

InChI=1S/C6H7N3O4.H2O/c1-7-3-4(9(12)13)5(10)8(2)6(7)11;/h3H,1-2H3;1H2