Chem
J-GLOBAL ID:201007066249637442   Nikkaji number:J2.834.359K

N-Benzoyl-2′-O-acetyl-3′-azido-5′-(dimethylaminosulfonylmethyl)-3′,5′-dideoxycytidine

N-ベンゾイル-2′-O-アセチル-3′-アジド-5′-(ジメチルアミノスルホニルメチル)-3′,5′-ジデオキシシチジン
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: C21H25N5[N-][N+]O7S
Molecular formula furigana: C21-H25-N7-O7-S
Molecular weight: 519.530
InChI: InChI=1S/C21H25N7O7S/c1-13(29)34-18-17(25-26-22)15(10-12-36(32,33)27(2)3)35-20(18)28-11-9-16(24-21(28)31)23-19(30)14-7-5-4-6-8-14/h4-9,11,15,17-18,20H,10,12H2,1-3H3,(H,23,24,30,31)/t15-,17-,18-,20-/m1/s1
InChI key: VIDNXZAGOLLPRE-DLVXIWMQSA-N
SMILES: CN(C)S(=O)(=O)CC[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H]1N=[N+]=[N-])n1ccc(NC(=O)c2ccccc2)nc1=O
Systematic name  (3):
  • N-ベンゾイル-2′-O-アセチル-3′-アジド-5′-(ジメチルアミノスルホニルメチル)-3′,5′-ジデオキシシチジン
  • (2R,3R,4R,5R)-4-アジド-2-(4-ベンズアミド-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-5-[2-(ジメチルスルファモイル)エチル]オキソラン-3-イル アセタート
  • (2R,3R,4R,5R)-4-azido-2-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-5-[2-(dimethylsulfamoyl)ethyl]oxolan-3-yl acetate
Other name (1):
  • N-Benzoyl-2′-O-acetyl-3′-azido-5′-(dimethylaminosulfonylmethyl)-3′,5′-dideoxycytidine
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