Chem
J-GLOBAL ID:200907050274211218   Nikkaji number:J1.258.884D

2-[7-(4-Chlorophenylsulfinyl)heptylthio]-5-(3-pyridinylmethyl)-1,4-dihydropyrimidine-4-one

2-[7-(4-クロロフェニルスルフィニル)ヘプチルチオ]-5-(3-ピリジニルメチル)-1,4-ジヒドロピリミジン-4-オン
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: C23H26ClN3O2S2
Molecular formula furigana: C23-H26-CL-N3-O2-S2
Molecular weight: 476.050
InChI: InChI=1S/C23H26ClN3O2S2/c24-20-8-10-21(11-9-20)31(29)14-5-3-1-2-4-13-30-23-26-17-19(22(28)27-23)15-18-7-6-12-25-16-18/h6-12,16-17H,1-5,13-15H2,(H,26,27,28)
InChI key: BTKGBQMHXMXNLB-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)S(=O)CCCCCCCSc1nc(=O)c(Cc2cccnc2)c[nH]1
Systematic name  (3):
  • 2-[7-(4-クロロフェニルスルフィニル)ヘプチルチオ]-5-(3-ピリジニルメチル)-1,4-ジヒドロピリミジン-4-オン
  • 2-{[7-(4-クロロベンゼンスルフィニル)ヘプチル]スルファニル}-5-[(ピリジン-3-イル)メチル]-1,4-ジヒドロピリミジン-4-オン
  • 2-{[7-(4-chlorobenzenesulfinyl)heptyl]sulfanyl}-5-[(pyridin-3-yl)methyl]-1,4-dihydropyrimidin-4-one
Other name (1):
  • 2-[7-(4-Chlorophenylsulfinyl)heptylthio]-5-(3-pyridinylmethyl)-1,4-dihydropyrimidine-4-one
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