2-(4-Ethyl-1-Piperazinyl)-4-(1-Pyrrolidinyl)-7,8-Dihydro-6H-Thiopyrano[3,2-D]Pyrimidine 5,5-Dioxide

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Formula C17H27N5O2S
IUPAC Name 2-(4-ethylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6h-thiopyrano[3,2-d]pyrimidine 5,5-dioxide
Molecular Mass 365.494 g·mol−1
Heat of Formation -226.5 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 427.21 Å 3
Surface Area 363.06 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-ethyl-1-piperazinyl)-4-1-pyrrolidinyl-7,8-dihydro-6h-thiopyrano[2,3-e]pyrimidine 5,5-dioxide
  • 2-(4-ethylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6h-thiopyrano[2,3-e]pyrimidine 5,5-dioxide
  • 6h-thiopyrano(3,2-d)pyrimidine, 2-(4-ethyl-1-piperazinyl)-7,8-dihydro-4-(1-pyrrolidinyl)-, 5,5-dioxide
  • mtp 3115
  • mtp-3115
CAS Number(s)
  • 133513-11-8
InChIKey JYIJXJBPHXJNPX-UHFFFAOYSA-N
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