Chem
J-GLOBAL ID：201107074618560408   Nikkaji number：J2.935.209G

2-[4-(Methoxycarbonyl)anilino]-4-methylpyrimidine-1,5(6H)-dicarboxylic acid 1-tert-butyl 5-ethyl ester

2-[4-(メトキシカルボニル)アニリノ]-4-メチルピリミジン-1,5(6H)-ジカルボン酸1-tert-ブチル5-エチル
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： C21H27N3O6
Molecular formula furigana： C21-H27-N3-O6
Molecular weight： 417.462
InChI： InChI=1S/C21H27N3O6/c1-7-29-18(26)16-12-24(20(27)30-21(3,4)5)19(22-13(16)2)23-15-10-8-14(9-11-15)17(25)28-6/h8-11H,7,12H2,1-6H3,(H,22,23)
InChI key： UCKMJDDFUQDSSM-UHFFFAOYSA-N
SMILES： CCOC(=O)C1=C(C)N=C(Nc2ccc(cc2)C(=O)OC)N(C1)C(=O)OC(C)(C)C
Systematic name  (3)：
  • 2-[4-(メトキシカルボニル)アニリノ]-4-メチルピリミジン-1,5(6H)-ジカルボン酸1-tert-ブチル5-エチル
  • 1-tert-ブチル 5-エチル 2-{[4-(メトキシカルボニル)フェニル]アミノ}-4-メチル-1,6-ジヒドロピリミジン-1,5-ジカルボキシラート
  • 1-tert-butyl 5-ethyl 2-{[4-(methoxycarbonyl)phenyl]amino}-4-methyl-1,6-dihydropyrimidine-1,5-dicarboxylate
Other name (1)：
  • 2-[4-(Methoxycarbonyl)anilino]-4-methylpyrimidine-1,5(6H)-dicarboxylic acid 1-tert-butyl 5-ethyl ester
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