1-[(Benzyloxy)Methyl]-5-Ethyl-6-(Phenylsulfanyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C20H20N2O3S++
IUPAC Name 1-(benzyloxymethyl)-5-ethyl-6-phenylsulfanyl-pyrimidine-2,4-dione
Molecular Mass 368.449 g·mol−1
Heat of Formation -291.7 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 440.85 Å 3
Surface Area 345.65 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(benzyloxymethyl)-5-ethyl-6-(phenylthio)pyrimidine-2,4-quinone
  • 1-(benzyloxymethyl)-6-phenylthio-5-ethyluracil
  • 2,4(1h,3h)-pyrimidinedione, 5-ethyl-1-((phenylmethoxy)methyl)-6-(phenylthio)-
  • 5-ethyl-1-((phenylmethoxy)methyl)-6-(phenylthio)-2,4(1h,3h)-pyrimidinedione
  • 5-ethyl-1-(phenylmethoxymethyl)-6-(phenylthio)pyrimidine-2,4-dione
  • 5-ethyl-1-(phenylmethoxymethyl)-6-phenylsulfanyl-pyrimidine-2,4-dione
  • 5-ethyl-1-(phenylmethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
  • 5-ethyl-1-benzyloxymethyl-6-(phenylthio)uracil
  • e-bpu cpd
CAS Number(s)
  • 132774-46-0
InChIKey JWLMKMJLXHQYJN-UHFFFAOYSA-N
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