Chem
J-GLOBAL ID：201907004098266413   Nikkaji number：J3.736.713C

N'-(4-{2-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-{[(2-cyanoethoxy)(diisopropylamino)phosphanyl]oxy}oxolan-2-yl]ethynyl}-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide

N'-(4-{2-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-{[(2-シアノエトキシ)(ジイソプロピルアミノ)ホスファニル]オキシ}オキソラン-2-イル]エチニル}-6-オキソ-1H-ピリミジン-2-イル)-N,N-ジメチルメタンイミドアミド
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： C44H53N6O7P
Molecular formula furigana： C44-H53-N6-O7-P
Molecular weight： 808.917
InChI： InChI=1S/C44H53N6O7P/c1-31(2)50(32(3)4)58(55-26-12-25-45)57-40-28-39(24-19-36-27-42(51)48-43(47-36)46-30-49(5)6)56-41(40)29-54-44(33-13-10-9-11-14-33,34-15-20-37(52-7)21-16-34)35-17-22-38(53-8)23-18-35/h9-11,13-18,20-23,27,30-32,39-41H,12,26,28-29H2,1-8H3,(H,47,48,51)/t39-,40-,41+,58?/m0/s1
InChI key： GDUXCXNQHSUVMV-KAHDMETFSA-N
SMILES： P(O[C@@H]1[C@H](O[C@H](C1)C#Cc1cc(=O)[nH]c(n1)N=CN(C)C)COC(c1ccccc1)(c1ccc(cc1)OC)c1ccc(cc1)OC)(N(C(C)C)C(C)C)OCCC#N
Systematic name  (3)：
  • (2-シアノエトキシ)(ジイソプロピルアミノ)[[(2R,3S,5R)-2-[[(4,4′-ジメトキシトリチル)オキシ]メチル]-5-[[2-[[(ジメチルアミノ)メチレン]アミノ]-6-オキソ-1,6-ジヒドロピリミジン-4-イル]エチニル]テトラヒドロフラン-3-イル]オキシ]ホスフィン
  • N'-(4-{2-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-({[ビス(プロパン-2-イル)アミノ](2-シアノエトキシ)ホスファニル}オキシ)オキソラン-2-イル]エチニル}-6-オキソ-1,6-ジヒドロピリミジン-2-イル)-N,N-ジメチルメタンイミドアミド
  • N'-(4-{2-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)oxolan-2-yl]ethynyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N,N-dimethylmethanimidamide
Other name (2)：
  • N'-(4-{2-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-{[(2-シアノエトキシ)(ジイソプロピルアミノ)ホスファニル]オキシ}オキソラン-2-イル]エチニル}-6-オキソ-1H-ピリミジン-2-イル)-N,N-ジメチルメタンイミドアミド
  • N'-(4-{2-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-{[(2-cyanoethoxy)(diisopropylamino)phosphanyl]oxy}oxolan-2-yl]ethynyl}-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
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