1-{4-[5-{[Benzyl(Methyl)Amino]Methyl}-1-(2,6-Difluorobenzyl)-2,4-Dioxo-3-Phenyl-1,2,3,4-Tetrahydrothieno[2,3-D]Pyrimidin-6-Yl]Phenyl}-3-Methoxyurea

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Formula C36H31F2N5O4S++
IUPAC Name 1-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-thieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxy-urea
Molecular Mass 667.724 g·mol−1
Heat of Formation -413.3 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 753.62 Å 3
Surface Area 581.35 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(methyl-(phenylmethyl)amino)methyl]-2,4-dioxo-3-phenyl-6-thieno[4,5-e]pyrimidinyl]phenyl]-3-methoxyurea
  • 1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(methyl-(phenylmethyl)amino)methyl]-2,4-dioxo-3-phenyl-thieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxy-urea
  • 1-[4-[5-[(benzyl-methyl-amino)methyl]-1-(2,6-difluorobenzyl)-2,4-diketo-3-phenyl-thieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxy-urea
  • 5-(n-benzyl-n-methylaminomethyl)-1-(2,6-difluorobenzyl)-6-(4-(3-methoxyureido)phenyl)-3-phenylthieno(2,3-d)pyrimidine-2,4(1h,3h)dione
  • sufugolix
  • tak 013
  • tak-013
  • urea, n-(4-(1-((2,6-difluorophenyl)methyl)-1,2,3,4-tetrahydro-5-((methyl(phenylmethyl)amino)methyl)-2,4-dioxo-3-phenylthieno(2,3-d)pyrimidin-6-yl)phenyl)-n'-methoxy-
CAS Number(s)
  • 308831-61-0
  • 388563-81-3
InChIKey UCQSBGOFELXYIN-UHFFFAOYSA-N
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