Chem
J-GLOBAL ID：200907056038309957   Nikkaji number：J1.067.768H

5-[6-Oxo-6-(2-nitro-4,5-dimethoxybenzyloxy)-1-hexynyl]-2′-deoxyuridine

5-[6-オキソ-6-(2-ニトロ-4,5-ジメトキシベンジルオキシ)-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： C24H27N2[N+]O10[O-]
Molecular formula furigana： C24-H27-N3-O11
Molecular weight： 533.490
InChI： InChI=1S/C24H27N3O11/c1-35-18-8-15(16(27(33)34)9-19(18)36-2)13-37-22(30)7-5-3-4-6-14-11-26(24(32)25-23(14)31)21-10-17(29)20(12-28)38-21/h8-9,11,17,20-21,28-29H,3,5,7,10,12-13H2,1-2H3,(H,25,31,32)/t17-,20+,21+/m0/s1
InChI key： RRMBTQNFTMEQOQ-IOMROCGXSA-N
SMILES： COc1cc(COC(=O)CCCC#Cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)c(cc1OC)[N+](=O)[O-]
Systematic name  (3)：
  • 5-[6-オキソ-6-(2-ニトロ-4,5-ジメトキシベンジルオキシ)-1-ヘキシニル]-2′-デオキシウリジン
  • (4,5-ジメトキシ-2-ニトロフェニル)メチル 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-イノアート
  • (4,5-dimethoxy-2-nitrophenyl)methyl 6-{1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}hex-5-ynoate
Other name (1)：
  • 5-[6-Oxo-6-(2-nitro-4,5-dimethoxybenzyloxy)-1-hexynyl]-2′-deoxyuridine
Thsaurus map：
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