Chem
J-GLOBAL ID：201707002376176660   Nikkaji number：J3.635.439I

1-[2-(Methylthio)-4-chloro-6-(phenylamino)pyrimidine-5-yl]-3-phenyl-2-propene-1-ol

1-[2-(メチルチオ)-4-クロロ-6-(フェニルアミノ)ピリミジン-5-イル]-3-フェニル-2-プロペン-1-オール
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： C20H18ClN3OS
Molecular formula furigana： C20-H18-CL-N3-O-S
Molecular weight： 383.890
InChI： InChI=1S/C20H18ClN3OS/c1-26-20-23-18(21)17(16(25)13-12-14-8-4-2-5-9-14)19(24-20)22-15-10-6-3-7-11-15/h2-13,16,25H,1H3,(H,22,23,24)
InChI key： JVDCBOANAMBZMS-UHFFFAOYSA-N
SMILES： CSc1nc(Cl)c(C(O)C=Cc2ccccc2)c(Nc2ccccc2)n1
Systematic name  (3)：
  • 1-[2-(メチルチオ)-4-クロロ-6-(フェニルアミノ)ピリミジン-5-イル]-3-フェニル-2-プロペン-1-オール
  • 1-[4-クロロ-2-(メチルスルファニル)-6-(フェニルアミノ)ピリミジン-5-イル]-3-フェニルプロパ-2-エン-1-オール
  • 1-[4-chloro-2-(methylsulfanyl)-6-(phenylamino)pyrimidin-5-yl]-3-phenylprop-2-en-1-ol
Other name (1)：
  • 1-[2-(Methylthio)-4-chloro-6-(phenylamino)pyrimidine-5-yl]-3-phenyl-2-propene-1-ol
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