Chem
J-GLOBAL ID：201107047225090305   Nikkaji number：J2.918.215I

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

5-[[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]-4-アミノピリミジン-2(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/c1-38-25-14-9-23(10-15-25)32(22-6-4-3-5-7-22,24-11-16-26(39-2)17-12-24)40-20-29-28(36)18-27(41-29)13-8-21-19-34-31(37)35-30(21)33/h3-7,9-12,14-17,19,27-29,36H,18,20H2,1-2H3,(H3,33,34,35,37)/t27-,28-,29+/m0/s1
InChI key： PPCKFCVHMSQIOT-YTCPBCGMSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O)C#Cc1cnc(=O)[nH]c1N)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 5-[[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]-4-アミノピリミジン-2(3H)-オン
  • 6-アミノ-5-{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}-1,2-ジヒドロピリミジン-2-オン
  • 6-amino-5-{2-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-hydroxyoxolan-2-yl]ethynyl}-1,2-dihydropyrimidin-2-one
Other name (1)：
  • 5-[[5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-β-D-ribofuranosyl]ethynyl]-4-aminopyrimidine-2(3H)-one
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