Chem
J-GLOBAL ID：201507002584570696   Nikkaji number：J3.446.541J

((3aR,6aS)-5-(4,6-Dimethylpyrimidine-2-yl)octahydropyrrolo[3,4-c]pyrrole-2-yl)(2-(2H-1,2,3-triazole-2-yl)-6-fluorophenyl)methanone

2-[(3aR,6aS)-5-[2-フルオロ-6-(2H-1,2,3-トリアゾール-2-イル)ベンゾイル]-オクタヒドロピロロ[3,4-c]ピロール-2-イル]-4,6-ジメチルピリミジン
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： C21H22FN7O
Molecular formula furigana： C21-H22-F-N7-O
Molecular weight： 407.453
InChI： InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+
InChI key： SQOCEMCKYDVLMM-IYBDPMFKSA-N
SMILES： Cc1cc(C)nc(n1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(F)cccc1n1nccn1
Systematic name  (3)：
  • ((3aR,6aS)-5-(4,6-ジメチルピリミジン-2-イル)オクタヒドロピロロ[3,4-c]ピロール-2-イル)(2-(2H-1,2,3-トリアゾール-2-イル)-6-フルオロフェニル)メタノン
  • 2-[(3aR,6aS)-5-[2-フルオロ-6-(2H-1,2,3-トリアゾール-2-イル)ベンゾイル]-オクタヒドロピロロ[3,4-c]ピロール-2-イル]-4,6-ジメチルピリミジン
  • 2-[(3aR,6aS)-5-[2-fluoro-6-(2H-1,2,3-triazol-2-yl)benzoyl]-octahydropyrrolo[3,4-c]pyrrol-2-yl]-4,6-dimethylpyrimidine
Other name (1)：
  • ((3aR,6aS)-5-(4,6-Dimethylpyrimidine-2-yl)octahydropyrrolo[3,4-c]pyrrole-2-yl)(2-(2H-1,2,3-triazole-2-yl)-6-fluorophenyl)methanone
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