Methyl 7-Butyl-3-(Methylamino)-4,6-Dioxo-5-Propyl-4,5,6,7-Tetrahydro-2H-Pyrazolo[3,4-D]Pyrimidine-2-Carboxylate

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Formula C15H27N5O4
IUPAC Name methyl 7-butyl-3-(methylamino)-4,6-dioxo-5-propyl-pyrazolo[3,4-d]pyrimidine-1,3,3a,7a-tetraide-2-carboxylate
Molecular Mass 341.406 g·mol−1
Heat of Formation -608.8 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 399.82 Å 3
Surface Area 362.45 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-pyrazolo(3,4-d)pyrimidine-2-carboxylic acid, 7-butyl-4,5,6,7-tetrahydro-3-(methylamino)-4,6-dioxo-5-propyl-, methyl ester
  • 7-butyl-3-methylamino-4,6-dioxo-5-propyl-2-pyrazolo[4,3-e]pyrimidinecarboxylic acid methyl ester
  • 7-butyl-4,6-diketo-3-methylamino-5-propyl-pyrazolo[4,3-e]pyrimidine-2-carboxylic acid methyl ester
  • aa-2379
  • methyl 7-butyl-3-methylamino-4,6-dioxo-5-propylpyrazolo[4,3-e]pyrimidine-2-carboxylate
CAS Number(s)
  • 103446-98-6
InChIKey AKJPAUXGPOUISG-UHFFFAOYSA-N
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