Chem
J-GLOBAL ID:200907019541007000
Nikkaji number:J472.611A
6-Methyl-2-phenyl-4-[6-(methylthio)-3-nitrophenyl]pyrimidine-5-carboxylic acid ethyl ester
6-メチル-2-フェニル-4-[6-(メチルチオ)-3-ニトロフェニル]ピリミジン-5-カルボン酸エチル
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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:
C21 H19 N2 [N+]O3 [O-]S
Molecular formula furigana:
C21-H19-N3-O4-S
Molecular weight:
409.460
InChI:
InChI=1S/C21H19N3O4S/c1-4-28-21(25)18-13(2)22-20(14-8-6-5-7-9-14)23-19(18)16-12-15(24(26)27)10-11-17(16)29-3/h5-12H,4H2,1-3H3
InChI key:
VIWTXVPXCWZSSL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nc(nc1c1cc(ccc1SC)[N+](=O)[O-])c1ccccc1
Systematic name (3):
6-メチル-2-フェニル-4-[6-(メチルチオ)-3-ニトロフェニル]ピリミジン-5-カルボン酸エチル
エチル 4-メチル-6-[2-(メチルスルファニル)-5-ニトロフェニル]-2-フェニルピリミジン-5-カルボキシラート
ethyl 4-methyl-6-[2-(methylsulfanyl)-5-nitrophenyl]-2-phenylpyrimidine-5-carboxylate
Other name (1):
6-Methyl-2-phenyl-4-[6-(methylthio)-3-nitrophenyl]pyrimidine-5-carboxylic acid ethyl ester
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