Chem
J-GLOBAL ID:200907050467390330   Nikkaji number:J1.562.177J

2′β-Fluoro-5-ethyl-5′-[4-(trifluoromethyl)-9H-xanthene-9-ylcarbonylamino]-2′,5′-dideoxyuridine

2′β-フルオロ-5-エチル-5′-[4-(トリフルオロメチル)-9H-キサンテン-9-イルカルボニルアミノ]-2′,5′-ジデオキシウリジン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C26H23F4N3O6
Molecular formula furigana: C26-H23-F4-N3-O6
Molecular weight: 549.479
InChI: InChI=1S/C26H23F4N3O6/c1-2-12-11-33(25(37)32-22(12)35)24-19(27)20(34)17(39-24)10-31-23(36)18-13-6-3-4-9-16(13)38-21-14(18)7-5-8-15(21)26(28,29)30/h3-9,11,17-20,24,34H,2,10H2,1H3,(H,31,36)(H,32,35,37)/t17-,18?,19+,20-,24-/m1/s1
InChI key: GIAXCNRSAQWXSM-GPVCKEGOSA-N
SMILES: CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c3cccc4C(F)(F)F)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
Systematic name  (3):
  • 2′β-フルオロ-5-エチル-5′-[4-(トリフルオロメチル)-9H-キサンテン-9-イルカルボニルアミノ]-2′,5′-ジデオキシウリジン
  • N-{[(2R,3R,4S,5R)-5-(5-エチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-4-フルオロ-3-ヒドロキシオキソラン-2-イル]メチル}-4-(トリフルオロメチル)-9H-キサンテン-9-カルボキサミド
  • N-{[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl}-4-(trifluoromethyl)-9H-xanthene-9-carboxamide
Other name (1):
  • 2′β-Fluoro-5-ethyl-5′-[4-(trifluoromethyl)-9H-xanthene-9-ylcarbonylamino]-2′,5′-dideoxyuridine
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