Chem
J-GLOBAL ID：201107094108425965   Nikkaji number：J2.954.363A

2-Methyl-4-(4-nitrophenyl)-6-phenylpyrimidine-1,5(6H)-dicarboxylic acid 1-tert-butyl 5-ethyl ester

2-メチル-4-(4-ニトロフェニル)-6-フェニルピリミジン-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： C25H27N2[N+]O5[O-]
Molecular formula furigana： C25-H27-N3-O6
Molecular weight： 465.506
InChI： InChI=1S/C25H27N3O6/c1-6-33-23(29)20-21(17-12-14-19(15-13-17)28(31)32)26-16(2)27(24(30)34-25(3,4)5)22(20)18-10-8-7-9-11-18/h7-15,22H,6H2,1-5H3
InChI key： CJEXHFMXIUNMFV-UHFFFAOYSA-N
SMILES： CCOC(=O)C1=C(N=C(C)N(C1c1ccccc1)C(=O)OC(C)(C)C)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 2-メチル-4-(4-ニトロフェニル)-6-フェニルピリミジン-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-メチル-4-(4-ニトロフェニル)-6-フェニル-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-methyl-4-(4-nitrophenyl)-6-phenyl-1,6-dihydropyrimidine-1,5-dicarboxylate
Other name (1)：
  • 2-Methyl-4-(4-nitrophenyl)-6-phenylpyrimidine-1,5(6H)-dicarboxylic acid 1-tert-butyl 5-ethyl ester
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