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

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Formula C21H27N7O3S2
IUPAC Name 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholino-thieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
Molecular Mass 489.614 g·mol−1
Heat of Formation -112.9 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 543.2 Å 3
Surface Area 464.99 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
InChIKey JEHTXQHLTKVUGY-UHFFFAOYSA-N
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