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5-{[(4-hydroxy-6-methyl-2-pyrimidinyl)amino]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 3WWXh5H2mDZ
InChI InChI=1S/C12H13N5O4/c1-6-4-8(18)15-11(14-6)13-5-7-9(19)16(2)12(21)17(3)10(7)20/h4-5H,1-3H3,(H2,13,14,15,18)
InChIKey FPHBFDFTGHBFRJ-UHFFFAOYSA-N
Mol Weight 291.27 g/mol
Molecular Formula C12H13N5O4
Exact Mass 291.096754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ky3W5ErRsrQ
Name 5-{[(4-hydroxy-6-methyl-2-pyrimidinyl)amino]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
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Exact Mass 291.096753915 u
Formula C12H13N5O4
InChI InChI=1S/C12H13N5O4/c1-6-4-8(18)15-11(14-6)13-5-7-9(19)16(2)12(21)17(3)10(7)20/h4-5H,1-3H3,(H2,13,14,15,18)
InChIKey FPHBFDFTGHBFRJ-UHFFFAOYSA-N
SMILES N(C1=NC(=CC(=N1)C)O)C=C1C(N(C(N(C)C1=O)=O)C)=O