Chem
J-GLOBAL ID：201807020451917715   Nikkaji number：J3.706.657E

2-[4-(Trifluoromethyl)anilino]-5-benzoyl-pyrimidine-1(6H)-carboxylic acid tert-butyl ester

2-[4-(トリフルオロメチル)アニリノ]-5-ベンゾイル-ピリミジン-1(6H)-カルボン酸tert-ブチル
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： C23H22F3N3O3
Molecular formula furigana： C23-H22-F3-N3-O3
Molecular weight： 445.442
InChI： InChI=1S/C23H22F3N3O3/c1-22(2,3)32-21(31)29-14-16(19(30)15-7-5-4-6-8-15)13-27-20(29)28-18-11-9-17(10-12-18)23(24,25)26/h4-13H,14H2,1-3H3,(H,27,28)
InChI key： FKZKDUBSOKFZEH-UHFFFAOYSA-N
SMILES： CC(C)(C)OC(=O)N1CC(=CN=C1Nc1ccc(cc1)C(F)(F)F)C(=O)c1ccccc1
Systematic name  (3)：
  • 2-[4-(トリフルオロメチル)アニリノ]-5-ベンゾイル-ピリミジン-1(6H)-カルボン酸tert-ブチル
  • tert-ブチル 5-ベンゾイル-2-{[4-(トリフルオロメチル)フェニル]アミノ}-1,6-ジヒドロピリミジン-1-カルボキシラート
  • tert-butyl 5-benzoyl-2-{[4-(trifluoromethyl)phenyl]amino}-1,6-dihydropyrimidine-1-carboxylate
Other name (1)：
  • 2-[4-(Trifluoromethyl)anilino]-5-benzoyl-pyrimidine-1(6H)-carboxylic acid tert-butyl ester
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