Chem
J-GLOBAL ID：201107074504029702   Nikkaji number：J2.918.218C

6-[[5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-β-D-ribofuranosyl]ethynyl]-2-aminopyrimidine-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-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： C32H31N3O6
Molecular formula furigana： C32-H31-N3-O6
Molecular weight： 553.615
InChI： InChI=1S/C32H31N3O6/c1-38-25-13-8-22(9-14-25)32(21-6-4-3-5-7-21,23-10-15-26(39-2)16-11-23)40-20-29-28(36)19-27(41-29)17-12-24-18-30(37)35-31(33)34-24/h3-11,13-16,18,27-29,36H,19-20H2,1-2H3,(H3,33,34,35,37)/t27-,28-,29+/m0/s1
InChI key： ZEBNRIOJNAGNLT-YTCPBCGMSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O)C#Cc1cc(=O)[nH]c(N)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-アミノピリミジン-4(3H)-オン
  • 2-アミノ-6-{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}-3,4-ジヒドロピリミジン-4-オン
  • 2-amino-6-{2-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-hydroxyoxolan-2-yl]ethynyl}-3,4-dihydropyrimidin-4-one
Other name (1)：
  • 6-[[5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-β-D-ribofuranosyl]ethynyl]-2-aminopyrimidine-4(3H)-one
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