1-[3-O-[Bis(isopropylamino)(2-cyanoethoxy)phosphino]-5-O-(4,4′-dimethoxytrityl)-2,4-(epoxymethano)-1,2-dideoxy-β-D-ribofuranose-1-yl]-6-[(dimethylaminomethylene)amino]-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-one

1-[3-O-[ビス(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)-2,4-(エポキシメタノ)-1,2-ジデオキシ-β-D-リボフラノース-1-イル]-6-[(ジメチルアミノメチレン)アミノ]-1H-ピラゾロ[3,4-d]ピリミジン-4(5H)-オン

Decided structure
Molecular formula： C₄₄H₅₆N₉O₈P
Molecular formula furigana： C44-H56-N9-O8-P
Molecular weight： 869.961

InChI： InChI=1S/C44H56N9O8P/c1-29(2)50-62(51-30(3)4,59-24-12-23-45)61-38-37-41(53-39-36(25-47-53)40(54)49-42(48-39)46-28-52(5)6)60-43(38,26-57-37)27-58-44(31-13-10-9-11-14-31,32-15-19-34(55-7)20-16-32)33-17-21-35(56-8)22-18-33/h9-11,13-22,25,28-30,37-38,41,50-51,62H,12,24,26-27H2,1-8H3,(H,48,49,54)/t37-,38+,41-,43-/m1/s1

InChI key： QOOBVQJXMZGTBP-JZBCXYDMSA-N

SMILES： COc1ccc(cc1)C(OC[C@@]12CO[C@@H]([C@@H](O1)n1ncc3c1nc(N=CN(C)C)[nH]c3=O)[C@@H]2OP(NC(C)C)(NC(C)C)OCCC#N)(c1ccccc1)c1ccc(OC)cc1

Systematic name (3)：

1-[3-O-[ビス(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)-2,4-(エポキシメタノ)-1,2-ジデオキシ-β-D-リボフラノース-1-イル]-6-[(ジメチルアミノメチレン)アミノ]-1H-ピラゾロ[3,4-d]ピリミジン-4(5H)-オン
N'-{1-[(1R,3R,4R,7S)-1-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-7-{[(2-シアノエトキシ)ビス[(プロパン-2-イル)アミノ]-λ⁵-ホスファニル]オキシ}-2,5-ジオキサビシクロ[2.2.1]ヘプタン-3-イル]-4-オキソ-1H,4H,5H-ピラゾロ[3,4-d]ピリミジン-6-イル}-N,N-ジメチルメタンイミドアミド
N'-{1-[(1R,3R,4R,7S)-1-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-7-{[(2-cyanoethoxy)bis[(propan-2-yl)amino]-λ⁵-phosphanyl]oxy}-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}-N,N-dimethylmethanimidamide

Other name (1)：

1-[3-O-[Bis(isopropylamino)(2-cyanoethoxy)phosphino]-5-O-(4,4′-dimethoxytrityl)-2,4-(epoxymethano)-1,2-dideoxy-β-D-ribofuranose-1-yl]-6-[(dimethylaminomethylene)amino]-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-one

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