1-(4-(4-Amino-1-Isopropyl-1H-Pyrazolo[3,4-D]Pyrimidin-3-Yl)Phenyl)-3-(3-(Trifluoromethyl)Phenyl)Urea

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Formula C22H20F3N7O
IUPAC Name 1-[4-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-1-ium-4-ylium-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Molecular Mass 455.436 g·mol−1
Heat of Formation -387.7 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 503.45 Å 3
Surface Area 446.62 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
InChIKey LEERPLGXOHLQPF-UHFFFAOYSA-N
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