Chem
J-GLOBAL ID：201107076501603982   Nikkaji number：J2.918.217E

6-[[5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-β-D-ribofuranosyl]ethynyl]-2-[(dimethylamino)methyleneamino]pyrimidine-4(3H)-one

6-[[5-O-[ビス(4-メトキシフェニル)(フェニル)メチル]-2-デオキシ-β-D-リボフラノシル]エチニル]-2-[(ジメチルアミノ)メチレンアミノ]ピリミジン-4(3H)-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： C35H36N4O6
Molecular formula furigana： C35-H36-N4-O6
Molecular weight： 608.695
InChI： InChI=1S/C35H36N4O6/c1-39(2)23-36-34-37-27(20-33(41)38-34)14-19-30-21-31(40)32(45-30)22-44-35(24-8-6-5-7-9-24,25-10-15-28(42-3)16-11-25)26-12-17-29(43-4)18-13-26/h5-13,15-18,20,23,30-32,40H,21-22H2,1-4H3,(H,37,38,41)/t30-,31-,32+/m0/s1
InChI key： ONSYWVQQKAJZEC-OWHBQTKESA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O)C#Cc1cc(=O)[nH]c(N=CN(C)C)n1)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 6-[[5-O-[ビス(4-メトキシフェニル)(フェニル)メチル]-2-デオキシ-β-D-リボフラノシル]エチニル]-2-[(ジメチルアミノ)メチレンアミノ]ピリミジン-4(3H)-オン
  • N'-(4-{2-[(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-ヒドロキシオキソラン-2-イル]エチニル}-6-オキソ-1,6-ジヒドロピリミジン-2-イル)-N,N-ジメチルメタンイミドアミド
  • N'-(4-{2-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-hydroxyoxolan-2-yl]ethynyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N,N-dimethylmethanimidamide
Other name (1)：
  • 6-[[5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-β-D-ribofuranosyl]ethynyl]-2-[(dimethylamino)methyleneamino]pyrimidine-4(3H)-one
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