N-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-N-[(1E)-4-Hydroxy-2-(Vinyldisulfanyl)-1-Buten-1-Yl]Formamide

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Properties Simple | Detailed

Formula C13H19N4O2S2
IUPAC Name n-[(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methyl]-n-[(e)-4-hydroxy-2-(vinyldisulfanyl)but-1-enyl]formamide
Molecular Mass 327.446 g·mol−1
Heat of Formation -124.1 ± 16.7 kJ·mol−1
Dipole Moment 6.60 ± 1.08 D
Volume 383.49 Å 3
Surface Area 320.91 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-n-(4-hydroxy-2-vinyldisulfanylbut-1-enyl)formamide
  • n-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-n-[(e)-4-hydroxy-2-vinyldisulfanylbut-1-enyl]formamide
  • n-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-n-(2-ethenyldisulfanyl-4-hydroxy-but-1-enyl)methanamide
  • n-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-n-(4-hydroxy-2-vinyldisulfanyl-but-1-enyl)formamide
  • n-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-n-[(e)-2-ethenyldisulfanyl-4-hydroxy-but-1-enyl]methanamide
  • n-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-n-[(e)-4-hydroxy-2-vinyldisulfanyl-but-1-enyl]formamide
  • n-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-(2-ethenyldisulfanyl-4-hydroxybut-1-enyl)formamide
  • n-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-[(e)-2-ethenyldisulfanyl-4-hydroxybut-1-enyl]formamide
InChIKey DXZBFWCUTNVBHB-XYOKQWHBSA-N
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