Chem
J-GLOBAL ID：200907009923504246
Nikkaji number：J476.423D
4-(3-シアノフェニル)-2-フェニル-6-メチルピリミジン-5-カルボン酸エチル
4-(3-シアノフェニル)-2-フェニル-6-メチルピリミジン-5-カルボン酸エチル
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
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
Molecular formula： C21H17N3O2
Molecular formula furigana： C21-H17-N3-O2
Molecular weight： 343.386
InChI：
InChI=1S/C21H17N3O2/c1-3-26-21(25)18-14(2)23-20(16-9-5-4-6-10-16)24-19(18)17-11-7-8-15(12-17)13-22/h4-12H,3H2,1-2H3
InChI key：
YRIBVWTWMFIAAL-UHFFFAOYSA-N
SMILES：
CCOC(=O)c1c(C)nc(nc1c1cccc(c1)C#N)c1ccccc1
Systematic name (3)：
- 4-(3-シアノフェニル)-2-フェニル-6-メチルピリミジン-5-カルボン酸エチル
- エチル 4-(3-シアノフェニル)-6-メチル-2-フェニルピリミジン-5-カルボキシラート
- ethyl 4-(3-cyanophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
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