Chem
J-GLOBAL ID：202007018745414774   Nikkaji number：J3.752.144B

(2R,3S,5R)-5-(4-amino-5-{2-[4-(trifluoromethyl)phenyl]ethynyl}pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(4-アミノ-5-{2-[4-(トリフルオロメチル)フェニル]エチニル}ピロロ[2,3-d]ピリミジン-7-イル)-2-(ヒドロキシメチル)オキソラン-3-オール
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： C20H17F3N4O3
Molecular formula furigana： C20-H17-F3-N4-O3
Molecular weight： 418.376
InChI： InChI=1S/C20H17F3N4O3/c21-20(22,23)13-5-2-11(3-6-13)1-4-12-8-27(16-7-14(29)15(9-28)30-16)19-17(12)18(24)25-10-26-19/h2-3,5-6,8,10,14-16,28-29H,7,9H2,(H2,24,25,26)/t14-,15+,16+/m0/s1
InChI key： CDRFRAMNZFDZQY-ARFHVFGLSA-N
SMILES： n1cnc(c2c1n(cc2C#Cc1ccc(cc1)C(F)(F)F)[C@@H]1O[C@H](CO)[C@H](C1)O)N
Systematic name  (3)：
  • 7-(2-デオキシ-β-D-リボフラノシル)-5-[[4-(トリフルオロメチル)フェニル]エチニル]-7H-ピロロ[2,3-d]ピリミジン-4-アミン
  • (2R,3S,5R)-5-(4-アミノ-5-{2-[4-(トリフルオロメチル)フェニル]エチニル}-7H-ピロロ[2,3-d]ピリミジン-7-イル)-2-(ヒドロキシメチル)オキソラン-3-オール
  • (2R,3S,5R)-5-(4-amino-5-{2-[4-(trifluoromethyl)phenyl]ethynyl}-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
Other name (2)：
  • (2R,3S,5R)-5-(4-アミノ-5-{2-[4-(トリフルオロメチル)フェニル]エチニル}ピロロ[2,3-d]ピリミジン-7-イル)-2-(ヒドロキシメチル)オキソラン-3-オール
  • (2R,3S,5R)-5-(4-amino-5-{2-[4-(trifluoromethyl)phenyl]ethynyl}pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
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