6-[(3,5-Dimethyl-1H-Pyrazol-4-Yl)Methyl]-5-{[(4S)-4-Hydroxy-1,2-Oxazolidin-2-Yl]Carbonyl}-1-Isobutyl-3-Methylthieno[2,3-D]Pyrimidine-2,4(1H,3H)-Dione

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Properties Simple | Detailed

Formula C21H27N5O5S++
IUPAC Name 6-[(3,5-dimethylpyrazol-1-ium-5-ylium-4-yl)methyl]-5-[(4s)-4-hydroxyisoxazolidine-2-carbonyl]-1-isobutyl-3-methyl-thieno[2,3-d]pyrimidine-1,7-diium-2,4-dione
Molecular Mass 461.535 g·mol−1
Heat of Formation -54.4 ± 16.7 kJ·mol−1
Dipole Moment 8.39 ± 1.08 D
Volume 531.73 Å 3
Surface Area 414.23 Å 2
Point Group Symmetry C1
Synonyms
  • 6-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-5-[(4s)-4-hydroxy1,2-oxazolidine-2-carbonyl]-3-methyl-1-(2-methylpropyl)thieno[4,5-e]pyrimidine-2,4-dione
  • 6-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-5-[(4s)-4-hydroxyisoxazolidine-2-carbonyl]-1-isobutyl-3-methyl-thieno[4,5-e]pyrimidine-2,4-dione
  • 6-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-5-[(4s)-4-hydroxyisoxazolidine-2-carbonyl]-1-isobutyl-3-methyl-thieno[4,5-e]pyrimidine-2,4-quinone
  • 6-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-5-[[(4s)-4-hydroxy-1,2-oxazolidin-2-yl]carbonyl]-3-methyl-1-(2-methylpropyl)thieno[4,5-e]pyrimidine-2,4-dione
  • 6-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-5-[[(4s)-4-hydroxy-2-isoxazolidinyl]-oxomethyl]-1-isobutyl-3-methylthieno[4,5-e]pyrimidine-2,4-dione
InChIKey ISIVOJWVBJIOFM-ZDUSSCGKSA-N
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