6-(2H-Indazol-4-Yl)-1-Methyl-N-[3-(Methylsulfonyl)Propyl]-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Formula C17H19N7O2S
IUPAC Name 6-indazol-2-ium-1-id-4-yl-1-methyl-n-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-1-ium-2-id-4-amine
Molecular Mass 385.443 g·mol−1
Heat of Formation 244.3 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 431.12 Å 3
Surface Area 387.68 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
InChIKey YZTXAMRYFBNCHP-UHFFFAOYSA-N
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