Chem
J-GLOBAL ID：200907067563838270   Nikkaji number：J689.997H

N-Methyl-N-(2-bromoethyl)amidophosphoric acid 2′-deoxy-5′-uridyl 2-[(4,4,6-trimethyltetrahydro-2H-1,3-oxazin)-2-yl]ethyl ester

N-メチル-N-(2-ブロモエチル)アミドりん酸2′-デオキシ-5′-ウリジル2-[(4,4,6-トリメチルテトラヒドロ-2H-1,3-オキサジン)-2-イル]エチル
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： C21H36BrN4O8P
Molecular formula furigana： C21-H36-BR-N4-O8-P
Molecular weight： 583.417
InChI： InChI=1S/C21H36BrN4O8P/c1-14-12-21(2,3)24-18(33-14)6-10-31-35(30,25(4)9-7-22)32-13-16-15(27)11-19(34-16)26-8-5-17(28)23-20(26)29/h5,8,14-16,18-19,24,27H,6-7,9-13H2,1-4H3,(H,23,28,29)/t14?,15-,16+,18?,19+,35?/m0/s1
InChI key： NYRAOTBLUAQWFO-IWGLWBNQSA-N
SMILES： CC1CC(C)(C)NC(CCOP(=O)(OC[C@H]2O[C@H](C[C@@H]2O)n2ccc(=O)[nH]c2=O)N(C)CCBr)O1
Systematic name  (3)：
  • N-メチル-N-(2-ブロモエチル)アミドりん酸2′-デオキシ-5′-ウリジル2-[(4,4,6-トリメチルテトラヒドロ-2H-1,3-オキサジン)-2-イル]エチル
  • 1-[(2R,4S,5R)-5-[({[(2-ブロモエチル)(メチル)アミノ][2-(4,4,6-トリメチル-1,3-オキサジナン-2-イル)エトキシ]ホスホリル}オキシ)メチル]-4-ヒドロキシオキソラン-2-イル]-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(2R,4S,5R)-5-[({[(2-bromoethyl)(methyl)amino][2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)ethoxy]phosphoryl}oxy)methyl]-4-hydroxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • N-Methyl-N-(2-bromoethyl)amidophosphoric acid 2′-deoxy-5′-uridyl 2-[(4,4,6-trimethyltetrahydro-2H-1,3-oxazin)-2-yl]ethyl ester
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