3-(Methyl{2-[Methyl(1-Methyl-4-Piperidinyl)Amino]Thieno[3,2-D]Pyrimidin-4-Yl}Amino)Propanenitrile

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Formula C17H24N6S
IUPAC Name 3-[methyl-[2-[methyl-(1-methyl-4-piperidyl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
Molecular Mass 344.478 g·mol−1
Heat of Formation 336.7 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 424.7 Å 3
Surface Area 371.02 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey JVWILFYYJUGFPA-UHFFFAOYSA-N
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Elements H C S N