Chem
J-GLOBAL ID：200907079449972746
Nikkaji number：J476.428E
4-[2-(4-クロロフェニルチオ)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-[2-(4-クロロフェニルチオ)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： C26H21ClN2O2S
Molecular formula furigana： C26-H21-CL-N2-O2-S
Molecular weight： 460.980
InChI：
InChI=1S/C26H21ClN2O2S/c1-3-31-26(30)23-17(2)28-25(18-9-5-4-6-10-18)29-24(23)21-11-7-8-12-22(21)32-20-15-13-19(27)14-16-20/h4-16H,3H2,1-2H3
InChI key：
PUYLMIXDLHTGGF-UHFFFAOYSA-N
SMILES：
CCOC(=O)c1c(C)nc(nc1c1ccccc1Sc1ccc(Cl)cc1)c1ccccc1
Systematic name (3)：
- 4-[2-(4-クロロフェニルチオ)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-{2-[(4-クロロフェニル)スルファニル]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-{2-[(4-chlorophenyl)sulfanyl]phenyl}-6-methyl-2-phenylpyrimidine-5-carboxylate
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