8-(Benzylsulfanyl)-4-(4-Morpholinyl)-2-(1-Piperazinyl)Pyrimido[5,4-D]Pyrimidine

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Properties Simple | Detailed

Formula C21H25N7OS
IUPAC Name 4-(8-benzylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)morpholine
Molecular Mass 423.535 g·mol−1
Heat of Formation 304.0 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 488.93 Å 3
Surface Area 427.99 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-morpholinyl)-8-((phenylmethyl)thio)-2-(1-piperazinyl)pyrimido(5,4-d)pyrimidine
  • 4-(benzylthio)-8-morpholino-6-piperazin-1-yl-pyrimido[6,5-e]pyrimidine
  • 8-benzylthio-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine
  • 8-morpholin-4-yl-4-(phenylmethylsulfanyl)-6-piperazin-1-yl-pyrimido[6,5-e]pyrimidine
  • 8-morpholin-4-yl-4-(phenylmethylsulfanyl)-6-piperazin-1-ylpyrimido[6,5-e]pyrimidine
  • 8-morpholino-4-(phenylmethylsulfanyl)-6-piperazin-1-yl-pyrimido[6,5-e]pyrimidine
  • 8-morpholino-4-(phenylmethylthio)-6-(1-piperazinyl)pyrimido[6,5-e]pyrimidine
  • pyrimido(5,4-d)pyrimidine, 4-(4-morpholinyl)-8-((phenylmethyl)thio)-2-(1-piperazinyl)-
  • rx-ra 69
CAS Number(s)
  • 77749-49-6
InChIKey LUGKHBNNJJSVLE-UHFFFAOYSA-N
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