Chem
J-GLOBAL ID：200907026522073805   Nikkaji number：J1.067.773D

5-[6-[4-(1-Pyrenyl)butyrylamino]-1-hexynyl]-2′-deoxyuridine

5-[6-[4-(1-ピレニル)ブチリルアミノ]-1-ヘキシニル]-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： C35H35N3O6
Molecular formula furigana： C35-H35-N3-O6
Molecular weight： 593.680
InChI： InChI=1S/C35H35N3O6/c39-21-29-28(40)19-31(44-29)38-20-26(34(42)37-35(38)43)7-3-1-2-4-18-36-30(41)11-6-8-22-12-13-25-15-14-23-9-5-10-24-16-17-27(22)33(25)32(23)24/h5,9-10,12-17,20,28-29,31,39-40H,1-2,4,6,8,11,18-19,21H2,(H,36,41)(H,37,42,43)/t28-,29+,31+/m0/s1
InChI key： BSYMTAGKXHIPAY-ILJQZKEFSA-N
SMILES： OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#CCCCCNC(=O)CCCc2ccc3ccc4cccc5ccc2c3c45)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5-[6-[4-(1-ピレニル)ブチリルアミノ]-1-ヘキシニル]-2′-デオキシウリジン
  • N-(6-{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]-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-5-イル}ヘキサ-5-イン-1-イル)-4-(ピレン-1-イル)ブタンアミド
  • N-(6-{1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}hex-5-yn-1-yl)-4-(pyren-1-yl)butanamide
Other name (1)：
  • 5-[6-[4-(1-Pyrenyl)butyrylamino]-1-hexynyl]-2′-deoxyuridine
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