Chem
J-GLOBAL ID：201807000641743968   Nikkaji number：J3.706.659A

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

2-[4-(トリフルオロメチル)アニリノ]-5-(4-メトキシベンゾイル)-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： C24H24F3N3O4
Molecular formula furigana： C24-H24-F3-N3-O4
Molecular weight： 475.468
InChI： InChI=1S/C24H24F3N3O4/c1-23(2,3)34-22(32)30-14-16(20(31)15-5-11-19(33-4)12-6-15)13-28-21(30)29-18-9-7-17(8-10-18)24(25,26)27/h5-13H,14H2,1-4H3,(H,28,29)
InChI key： PYFWWLCIDPHFDA-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)C(=O)C1=CN=C(Nc2ccc(cc2)C(F)(F)F)N(C1)C(=O)OC(C)(C)C
Systematic name  (3)：
  • 2-[4-(トリフルオロメチル)アニリノ]-5-(4-メトキシベンゾイル)-ピリミジン-1(6H)-カルボン酸tert-ブチル
  • tert-ブチル 5-(4-メトキシベンゾイル)-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-(4-methoxybenzoyl)-2-{[4-(trifluoromethyl)phenyl]amino}-1,6-dihydropyrimidine-1-carboxylate
Other name (1)：
  • 2-[4-(Trifluoromethyl)anilino]-5-(4-methoxybenzoyl)-pyrimidine-1(6H)-carboxylic acid tert-butyl ester
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