[3-{(E)-[(5-Nitro-2-Furyl)Methylene]Amino}-2-Oxotetrahydro-1(2H)-Pyrimidinyl]Methyl Butyrate

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Properties Simple | Detailed

Formula C14H18N4O6
IUPAC Name [3-[(e)-(5-nitro-2-furyl)methyleneamino]-2-oxo-hexahydropyrimidin-1-yl]methyl butanoate
Molecular Mass 338.316 g·mol−1
Heat of Formation -451.9 ± 16.7 kJ·mol−1
Dipole Moment 10.31 ± 1.08 D
Volume 379.54 Å 3
Surface Area 354.99 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • (1-(5-nitro-2-furanyl)methyleneamino)tetrahydropyrimidin-2-one methanol propionate
  • [3-[(5-nitro-2-furyl)methyleneamino]-2-oxo-hexahydropyrimidin-1-yl]methyl butanoate
  • [3-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-1,3-diazinan-1-yl]methyl butanoate
  • butanoic acid [3-[(5-nitro-2-furyl)methyleneamino]-2-oxo-1-hexahydropyrimidinyl]methyl ester
  • butanoic acid, (tetrahydro-3-(((5-nitro-2-furanyl)methylene)amino)-2-oxo-1(2h)-pyrimidinyl)methyl ester
  • butyric acid [2-keto-3-[(5-nitro-2-furyl)methyleneamino]hexahydropyrimidin-1-yl]methyl ester
  • m 279
  • m-279
CAS Number(s)
  • 92950-21-5
InChIKey GMARJEIJEOVNSM-OQLLNIDSSA-N
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