Chem
J-GLOBAL ID：201707019059103844   Nikkaji number：J3.604.699F

1,2,3,4,4aβ,5,7,7aβ-Octahydro-2-imino-3-methyl-4-oxo-6-(4-methyl-6-methoxy-5-fluoropyrimidine-2-yl)-7a-(2,4-difluorophenyl)-6H-pyrrolo[3,4-d]pyrimidine

(4aR,7aS)-7a-(2,4-ジフルオロフェニル)-6-(5-フルオロ-4-メトキシ-6-メチルピリミジン-2-イル)-2-イミノ-3-メチル-オクタヒドロ-1H-ピロロ[3,4-d]ピリミジン-4-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： C19H19F3N6O2
Molecular formula furigana： C19-H19-F3-N6-O2
Molecular weight： 420.396
InChI： InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1
InChI key： FNMJFZYRSQTKIH-HXPMCKFVSA-N
SMILES： COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(F)cc1F
Systematic name  (3)：
  • 1,2,3,4,4aβ,5,7,7aβ-オクタヒドロ-2-イミノ-3-メチル-4-オキソ-6-(4-メチル-6-メトキシ-5-フルオロピリミジン-2-イル)-7a-(2,4-ジフルオロフェニル)-6H-ピロロ[3,4-d]ピリミジン
  • (4aR,7aS)-7a-(2,4-ジフルオロフェニル)-6-(5-フルオロ-4-メトキシ-6-メチルピリミジン-2-イル)-2-イミノ-3-メチル-オクタヒドロ-1H-ピロロ[3,4-d]ピリミジン-4-オン
  • (4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-octahydro-1H-pyrrolo[3,4-d]pyrimidin-4-one
Other name (1)：
  • 1,2,3,4,4aβ,5,7,7aβ-Octahydro-2-imino-3-methyl-4-oxo-6-(4-methyl-6-methoxy-5-fluoropyrimidine-2-yl)-7a-(2,4-difluorophenyl)-6H-pyrrolo[3,4-d]pyrimidine
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