Chem
J-GLOBAL ID：200907008605653970   Nikkaji number：J1.942.502I

5-[(4-tert-Butylphenyl)ethynyl]-2′-deoxyuridine

5-[(4-tert-ブチルフェニル)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： C21H24N2O5
Molecular formula furigana： C21-H24-N2-O5
Molecular weight： 384.432
InChI： InChI=1S/C21H24N2O5/c1-21(2,3)15-8-5-13(6-9-15)4-7-14-11-23(20(27)22-19(14)26)18-10-16(25)17(12-24)28-18/h5-6,8-9,11,16-18,24-25H,10,12H2,1-3H3,(H,22,26,27)/t16-,17+,18+/m0/s1
InChI key： LEHRCUIPNXWRPN-RCCFBDPRSA-N
SMILES： CC(C)(C)c1ccc(cc1)C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5-[(4-tert-ブチルフェニル)エチニル]-2′-デオキシウリジン
  • 5-[2-(4-tert-ブチルフェニル)エチニル]-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]-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 5-[2-(4-tert-butylphenyl)ethynyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 5-[(4-tert-Butylphenyl)ethynyl]-2′-deoxyuridine
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