Relugolix

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Formula C29H27F2N7O5S
IUPAC Name 1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-thieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxy-urea
Molecular Mass 623.630 g·mol−1
Heat of Formation -546.4 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 678.02 Å 3
Surface Area 556.14 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[1-(2,6-difluorobenzyl)-5-(dimethylaminomethyl)-2,4-diketo-3-(6-methoxypyridazin-3-yl)thieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxy-urea
  • 1-[4-[1-[(2,6-difluorophenyl)methyl]-5-(dimethylaminomethyl)-3-(6-methoxy-3-pyridazinyl)-2,4-dioxo-6-thieno[4,5-e]pyrimidinyl]phenyl]-3-methoxyurea
  • 1-[4-[1-[(2,6-difluorophenyl)methyl]-5-(dimethylaminomethyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-thieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxy-urea
  • 1-[4-[1-[(2,6-difluorophenyl)methyl]-5-(dimethylaminomethyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxyurea
InChIKey AOMXMOCNKJTRQP-UHFFFAOYSA-N
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