Chem
J-GLOBAL ID:200907069089354943   Nikkaji number:J522.793C

2-Butyl-6-chloro-1,4-dihydro-4,4-dimethyl-1-[4-[2-(1H-tetrazol-5-yl)phenyl]benzyl]pyrimidine-5-carboxylic acid ethyl ester

2-ブチル-6-クロロ-1,4-ジヒドロ-4,4-ジメチル-1-[4-[2-(1H-テトラゾール-5-イル)フェニル]ベンジル]ピリミジン-5-カルボン酸エチル
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: C27H31ClN6O2
Molecular formula furigana: C27-H31-CL-N6-O2
Molecular weight: 507.040
InChI: InChI=1S/C27H31ClN6O2/c1-5-7-12-22-29-27(3,4)23(26(35)36-6-2)24(28)34(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25-30-32-33-31-25/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,30,31,32,33)
InChI key: DGKMIANMJJJSJY-UHFFFAOYSA-N
SMILES: CCCCC1=NC(C)(C)C(=C(Cl)N1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCC
Systematic name  (3):
  • 2-ブチル-6-クロロ-1,4-ジヒドロ-4,4-ジメチル-1-[4-[2-(1H-テトラゾール-5-イル)フェニル]ベンジル]ピリミジン-5-カルボン酸エチル
  • エチル 2-ブチル-6-クロロ-4,4-ジメチル-1-{[2'-(1H-1,2,3,4-テトラゾール-5-イル)-[1,1'-ビフェニル]-4-イル]メチル}-1,4-ジヒドロピリミジン-5-カルボキシラート
  • ethyl 2-butyl-6-chloro-4,4-dimethyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,4-dihydropyrimidine-5-carboxylate
Other name (1):
  • 2-Butyl-6-chloro-1,4-dihydro-4,4-dimethyl-1-[4-[2-(1H-tetrazol-5-yl)phenyl]benzyl]pyrimidine-5-carboxylic acid ethyl ester
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