N-[1-(Dimethylamino)ethylidene]-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-amine

N-[1-(ジメチルアミノ)エチリデン]-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-アミン

Decided structure
Molecular formula： C₄₈H₆₄N₁₁O₇P
Molecular formula furigana： C48-H64-N11-O7-P
Molecular weight： 938.084

InChI： InChI=1S/C48H64N11O7P/c1-32(2)55-67(56-33(3)4,64-27-15-26-49)66-42-41-45(59-44-40(28-51-59)43(52-34(5)58(8)9)53-46(54-44)50-31-57(6)7)65-47(42,29-62-41)30-63-48(35-16-13-12-14-17-35,36-18-22-38(60-10)23-19-36)37-20-24-39(61-11)25-21-37/h12-14,16-25,28,31-33,41-42,45,55-56,67H,15,27,29-30H2,1-11H3/t41-,42+,45-,47-/m1/s1

InChI key： YUNMJILKUFRSNI-JRTOWBCWSA-N

SMILES： COc1ccc(cc1)C(OC[C@@]12CO[C@@H]([C@@H](O1)n1ncc3c(N=C(C)N(C)C)nc(N=CN(C)C)nc13)[C@@H]2OP(NC(C)C)(NC(C)C)OCCC#N)(c1ccccc1)c1ccc(OC)cc1

Systematic name (3)：

N-[1-(ジメチルアミノ)エチリデン]-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-アミン
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]-6-{[(ジメチルアミノ)メチリデン]アミノ}-1H-ピラゾロ[3,4-d]ピリミジン-4-イル}-N,N-ジメチルエタンイミドアミド
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]-6-{[(dimethylamino)methylidene]amino}-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethylethanimidamide

Other name (1)：

N-[1-(Dimethylamino)ethylidene]-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-amine

Thsaurus map：

Thesaurus Map

Return to Previous Page