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

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Formula C22H27N5O2S
IUPAC Name 3-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholino-thieno[3,2-d]pyrimidin-2-yl]phenol
Molecular Mass 425.547 g·mol−1
Heat of Formation 55.7 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 500.79 Å 3
Surface Area 433.62 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[6-[(4-methyl-1-piperazinyl)methyl]-4-morpholino-2-thieno[2,3-e]pyrimidinyl]phenol
  • 3-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[2,3-e]pyrimidin-2-yl]phenol
  • 3-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-e]pyrimidin-2-yl]phenol
  • 3-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholino-thieno[2,3-e]pyrimidin-2-yl]phenol
InChIKey OKWPNODGKOTLAT-UHFFFAOYSA-N
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