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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Elements |
H
S
C
O
N
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