1-(2,2-Diethoxyethyl)-6-(Methylsulfanyl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C12H19N5O2S
IUPAC Name 1-(2,2-diethoxyethyl)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-ium-2-id-4-amine
Molecular Mass 297.377 g·mol−1
Heat of Formation -114.5 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 357.82 Å 3
Surface Area 295.2 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,2-diethoxyethyl)-6-(methylthio)-1h-pyrazolo(3,4-d)pyrimidin-4-amine
  • 1-(2,2-diethoxyethyl)-6-(methylthio)-4-pyrazolo[4,5-e]pyrimidinamine
  • 1-(2,2-diethoxyethyl)-6-methylsulfanyl-pyrazolo[4,5-e]pyrimidin-4-amine
  • 1-(2,2-diethoxyethyl)-6-methylsulfanylpyrazolo[4,5-e]pyrimidin-4-amine
  • 1h-pyrazolo(3,4-d)pyrimidin-4-amine, 1-(2,2-diethoxyethyl)-6-(methylthio)-
  • 4-amino-1-(2',2'-diethoxyethyl)-6-methylthio-1h-pyrazolo(3,4-d)pyrimidine
  • 4-amino-6-methylthio-1-(2',2'-diethoxyethyl)-1h-pyrazolo(3,4-d)pyrimidine
  • [1-(2,2-diethoxyethyl)-6-(methylthio)pyrazolo[4,5-e]pyrimidin-4-yl]amine
CAS Number(s)
  • 153901-71-4
InChIKey OSMOVIPWSMFZII-UHFFFAOYSA-N
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