7-Amino-4-{[2-(1H-Imidazol-4-Yl)Ethyl]Amino}-2-(2-Methyl-2-Propanyl)Pyrido[2,3-D]Pyrimidine-6-Carboxamide

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Formula C17H22N8O
IUPAC Name 7-amino-2-tert-butyl-4-[2-(4h-imidazol-3-ium-4-ylium-5-yl)ethylamino]pyrido[2,3-d]pyrimidine-6-carboxamide
Molecular Mass 354.410 g·mol−1
Heat of Formation 90.7 ± 16.7 kJ·mol−1
Dipole Moment 9.61 ± 1.08 D
Volume 421.56 Å 3
Surface Area 380.5 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
InChIKey XESUNWBIAADLPI-UHFFFAOYSA-N
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