Chem
J-GLOBAL ID：200907062193838877   Nikkaji number：J1.083.047H

1-[(1R,1β,4R,7S)-2-Methyl-4-(hydroxymethyl)-7-[[(diisopropylamino)(2-cyanoethoxy)phosphino]oxy]-2-aza-5-oxabicyclo[2.2.1]heptane-6β-yl]thymine

1-[(1R,1β,4R,7S)-2-メチル-4-(ヒドロキシメチル)-7-[[(ジイソプロピルアミノ)(2-シアノエトキシ)ホスフィノ]オキシ]-2-アザ-5-オキサビシクロ[2.2.1]ヘプタン-6β-イル]チミン
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： C21H34N5O6P
Molecular formula furigana： C21-H34-N5-O6-P
Molecular weight： 483.506
InChI： InChI=1S/C21H34N5O6P/c1-13(2)26(14(3)4)33(30-9-7-8-22)32-17-16-19(31-21(17,12-27)11-24(16)6)25-10-15(5)18(28)23-20(25)29/h10,13-14,16-17,19,27H,7,9,11-12H2,1-6H3,(H,23,28,29)/t16-,17+,19-,21-,33?/m1/s1
InChI key： LDBFMKBHZKGIII-BQPHMOEQSA-N
SMILES： CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H]2[C@@H](O[C@@]1(CO)CN2C)n1cc(C)c(=O)[nH]c1=O
Systematic name  (3)：
  • 1-[(1R,1β,4R,7S)-2-メチル-4-(ヒドロキシメチル)-7-[[(ジイソプロピルアミノ)(2-シアノエトキシ)ホスフィノ]オキシ]-2-アザ-5-オキサビシクロ[2.2.1]ヘプタン-6β-イル]チミン
  • 3-({[ビス(プロパン-2-イル)アミノ]({[(1R,3R,4R,7S)-1-(ヒドロキシメチル)-5-メチル-3-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-2-オキサ-5-アザビシクロ[2.2.1]ヘプタン-7-イル]オキシ})ホスファニル}オキシ)プロパンニトリル
  • 3-({[bis(propan-2-yl)amino]({[(1R,3R,4R,7S)-1-(hydroxymethyl)-5-methyl-3-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-oxa-5-azabicyclo[2.2.1]heptan-7-yl]oxy})phosphanyl}oxy)propanenitrile
Other name (1)：
  • 1-[(1R,1β,4R,7S)-2-Methyl-4-(hydroxymethyl)-7-[[(diisopropylamino)(2-cyanoethoxy)phosphino]oxy]-2-aza-5-oxabicyclo[2.2.1]heptane-6β-yl]thymine
Thsaurus map：
Thesaurus Map

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