Chem
J-GLOBAL ID:200907018504072394   Nikkaji number:J1.177.551I

N,N′-Dibenzoyl-1-[3-O-[diisopropylamino(2-cyanoethoxy)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-erythro-pentofuranosyl]-3-bromo-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

N,N′-ジベンゾイル-1-[3-O-[ジイソプロピルアミノ(2-シアノエトキシ)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]-3-ブロモ-1H-ピラゾロ[3,4-d]ピリミジン-4,6-ジアミン
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: C54H56BrN8O8P
Molecular formula furigana: C54-H56-BR-N8-O8-P
Molecular weight: 1055.968
InChI: InChI=1S/C54H56BrN8O8P/c1-35(2)63(36(3)4)72(69-32-16-31-56)71-44-33-46(70-45(44)34-68-54(39-21-14-9-15-22-39,40-23-27-42(66-5)28-24-40)41-25-29-43(67-6)30-26-41)62-50-47(48(55)61-62)49(57-51(64)37-17-10-7-11-18-37)58-53(59-50)60-52(65)38-19-12-8-13-20-38/h7-15,17-30,35-36,44-46H,16,32-34H2,1-6H3,(H2,57,58,59,60,64,65)/t44-,45+,46+,72?/m0/s1
InChI key: AIGNYSWBHNSZLI-VXZQQGFDSA-N
SMILES: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1nc(Br)c2c(NC(=O)c3ccccc3)nc(NC(=O)c3ccccc3)nc12)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • N,N′-ジベンゾイル-1-[3-O-[ジイソプロピルアミノ(2-シアノエトキシ)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]-3-ブロモ-1H-ピラゾロ[3,4-d]ピリミジン-4,6-ジアミン
  • N-{6-ベンズアミド-1-[(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]-3-ブロモ-1H-ピラゾロ[3,4-d]ピリミジン-4-イル}ベンズアミド
  • N-{6-benzamido-1-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)oxolan-2-yl]-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl}benzamide
Other name (1):
  • N,N′-Dibenzoyl-1-[3-O-[diisopropylamino(2-cyanoethoxy)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-erythro-pentofuranosyl]-3-bromo-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
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