Chem
J-GLOBAL ID：200907077474963104   Nikkaji number：J1.067.769F

5-[6-(2-Nitro-4,5-dimethoxybenzyloxycarbonylamino)-1-hexynyl]-2′-deoxyuridine

5-[6-(2-ニトロ-4,5-ジメトキシベンジルオキシカルボニルアミノ)-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： C25H30N3[N+]O10[O-]
Molecular formula furigana： C25-H30-N4-O11
Molecular weight： 562.532
InChI： InChI=1S/C25H30N4O11/c1-37-19-9-16(17(29(35)36)10-20(19)38-2)14-39-25(34)26-8-6-4-3-5-7-15-12-28(24(33)27-23(15)32)22-11-18(31)21(13-30)40-22/h9-10,12,18,21-22,30-31H,3-4,6,8,11,13-14H2,1-2H3,(H,26,34)(H,27,32,33)/t18-,21+,22+/m0/s1
InChI key： WZDPOJCKWQACDE-VLCRHTCISA-N
SMILES： COc1cc(COC(=O)NCCCCC#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-(2-ニトロ-4,5-ジメトキシベンジルオキシカルボニルアミノ)-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 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)カルバマート
  • (4,5-dimethoxy-2-nitrophenyl)methyl 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)carbamate
Other name (1)：
  • 5-[6-(2-Nitro-4,5-dimethoxybenzyloxycarbonylamino)-1-hexynyl]-2′-deoxyuridine
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