5-[7-Methyl-6-{[4-(Methylsulfonyl)-1-Piperazinyl]Methyl}-4-(4-Morpholinyl)Thieno[3,2-D]Pyrimidin-2-Yl]-2-Pyrimidinamine

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Formula C21H28N8O3S2
IUPAC Name 5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholino-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
Molecular Mass 504.629 g·mol−1
Heat of Formation -92.4 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 566.25 Å 3
Surface Area 477.33 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
InChIKey AKKCGLXULFRAET-UHFFFAOYSA-N
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