Chem
J-GLOBAL ID：200907096246607416   Nikkaji number：J1.067.775K

5-[6-[5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4-yl)valerylamino]-1-hexynyl]-2′-deoxyuridine

5-[6-[5-(2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル)バレリルアミノ]-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： C25H35N5O7S
Molecular formula furigana： C25-H35-N5-O7-S
Molecular weight： 549.640
InChI： InChI=1S/C25H35N5O7S/c31-13-18-17(32)11-21(37-18)30-12-15(23(34)29-25(30)36)7-3-1-2-6-10-26-20(33)9-5-4-8-19-22-16(14-38-19)27-24(35)28-22/h12,16-19,21-22,31-32H,1-2,4-6,8-11,13-14H2,(H,26,33)(H2,27,28,35)(H,29,34,36)/t16?,17-,18+,19?,21+,22?/m0/s1
InChI key： ZQIDDGDQRVZQHP-ZIQLCCBOSA-N
SMILES： OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#CCCCCNC(=O)CCCCC2SCC3NC(=O)NC23)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5-[6-[5-(2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル)バレリルアミノ]-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)-5-{2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル}ペンタンアミド
  • 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)-5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanamide
Other name (1)：
  • 5-[6-[5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4-yl)valerylamino]-1-hexynyl]-2′-deoxyuridine
Thsaurus map：
Thesaurus Map

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