Chem
J-GLOBAL ID：200907004880731454   Nikkaji number：J569.873A

5-[[4-(Trifluoromethyl)phenyl]ethynyl]-2′-deoxyuridine

5-[[4-(トリフルオロメチル)フェニル]エチニル]-2′-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： C18H15F3N2O5
Molecular formula furigana： C18-H15-F3-N2-O5
Molecular weight： 396.322
InChI： InChI=1S/C18H15F3N2O5/c19-18(20,21)12-5-2-10(3-6-12)1-4-11-8-23(17(27)22-16(11)26)15-7-13(25)14(9-24)28-15/h2-3,5-6,8,13-15,24-25H,7,9H2,(H,22,26,27)/t13-,14+,15+/m0/s1
InChI key： RPGHQCNKOXWXAX-RRFJBIMHSA-N
SMILES： OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#Cc2ccc(cc2)C(F)(F)F)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5-[[4-(トリフルオロメチル)フェニル]エチニル]-2′-デオキシウリジン
  • 1-[(2R,4S,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-5-{2-[4-(トリフルオロメチル)フェニル]エチニル}-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-{2-[4-(trifluoromethyl)phenyl]ethynyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 5-[[4-(Trifluoromethyl)phenyl]ethynyl]-2′-deoxyuridine
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