3-[2-(Benzyloxy)-8-Methyl-6-Quinolinyl]-1-Isopropyl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Formula C25H24N6O
IUPAC Name 3-(2-benzyloxy-8-methyl-6-quinolyl)-1-isopropyl-pyrazolo[3,4-d]pyrimidin-1-ium-2-id-4-amine
Molecular Mass 424.498 g·mol−1
Heat of Formation 346.6 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 509.83 Å 3
Surface Area 445.88 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
InChIKey QJSJMPRJBAGLJO-UHFFFAOYSA-N
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