Chem
J-GLOBAL ID：200907051172827784   Nikkaji number：J2.003.104B

3-[3-O-[2-Cyanoethoxy(diisopropylamino)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-erythro-pentofuranosyl]-8-[1-(dimethylamino)ethylideneamino]-3H-imidazo[4,5-g]quinazoline

3-[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-erythro-ペントフラノシル]-8-[1-(ジメチルアミノ)エチリデンアミノ]-3H-イミダゾ[4,5-g]キナゾリン
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： C48H57N8O6P
Molecular formula furigana： C48-H57-N8-O6-P
Molecular weight： 873.008
InChI： InChI=1S/C48H57N8O6P/c1-32(2)56(33(3)4)63(60-25-13-24-49)62-44-28-46(55-31-52-42-26-40-41(27-43(42)55)50-30-51-47(40)53-34(5)54(6)7)61-45(44)29-59-48(35-14-11-10-12-15-35,36-16-20-38(57-8)21-17-36)37-18-22-39(58-9)23-19-37/h10-12,14-23,26-27,30-33,44-46H,13,25,28-29H2,1-9H3/t44-,45+,46+,63?/m0/s1
InChI key： YRRLNKZIVKMGLE-OIIQNLQWSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1cnc2cc3c(N=C(C)N(C)C)ncnc3cc12)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 3-[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-erythro-ペントフラノシル]-8-[1-(ジメチルアミノ)エチリデンアミノ]-3H-イミダゾ[4,5-g]キナゾリン
  • N'-{3-[(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]-3H-イミダゾ[4,5-g]キナゾリン-8-イル}-N,N-ジメチルエタンイミドアミド
  • N'-{3-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)oxolan-2-yl]-3H-imidazo[4,5-g]quinazolin-8-yl}-N,N-dimethylethanimidamide
Other name (1)：
  • 3-[3-O-[2-Cyanoethoxy(diisopropylamino)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-erythro-pentofuranosyl]-8-[1-(dimethylamino)ethylideneamino]-3H-imidazo[4,5-g]quinazoline
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