Chem
J-GLOBAL ID：200907036371459205   Nikkaji number：J2.148.177G

4-[(Dimethylamino)methyleneamino]-6-methyl-8-[3-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-ribofuranosyl]quinazoline-2(1H)-one

4-[(ジメチルアミノ)メチレンアミノ]-6-メチル-8-[3-O-[(2-シアノエトキシ)(ジイソプロピルアミノ)ホスフィノ]-5-O-(4,4′-ジメトキシトリチル)-2-デオキシ-β-D-リボフラノシル]キナゾリン-2(1H)-オン
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： C47H57N6O7P
Molecular formula furigana： C47-H57-N6-O7-P
Molecular weight： 848.982
InChI： InChI=1S/C47H57N6O7P/c1-31(2)53(32(3)4)61(58-25-13-24-48)60-42-28-41(39-26-33(5)27-40-44(39)50-46(54)51-45(40)49-30-52(6)7)59-43(42)29-57-47(34-14-11-10-12-15-34,35-16-20-37(55-8)21-17-35)36-18-22-38(56-9)23-19-36/h10-12,14-23,26-27,30-32,41-43H,13,25,28-29H2,1-9H3,(H,50,51,54)/t41-,42+,43-,61?/m1/s1
InChI key： SPPHXVFLCVRUEV-VIZXHMLSSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)c1cc(C)cc2c(N=CN(C)C)nc(=O)[nH]c12)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 4-[(ジメチルアミノ)メチレンアミノ]-6-メチル-8-[3-O-[(2-シアノエトキシ)(ジイソプロピルアミノ)ホスフィノ]-5-O-(4,4′-ジメトキシトリチル)-2-デオキシ-β-D-リボフラノシル]キナゾリン-2(1H)-オン
  • N'-{8-[(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]-6-メチル-2-オキソ-1,2-ジヒドロキナゾリン-4-イル}-N,N-ジメチルメタンイミドアミド
  • N'-{8-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)oxolan-2-yl]-6-methyl-2-oxo-1,2-dihydroquinazolin-4-yl}-N,N-dimethylmethanimidamide
Other name (1)：
  • 4-[(Dimethylamino)methyleneamino]-6-methyl-8-[3-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-ribofuranosyl]quinazoline-2(1H)-one
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