Chem
J-GLOBAL ID：200907012218923770   Nikkaji number：J377.745F

1-(4-Bromo-2-fluorobenzyl)-1,2,3,4-tetrahydro-6-chloro-4-oxo-2-thioxoquinazoline-3-acetic acid

1-(4-ブロモ-2-フルオロベンジル)-1,2,3,4-テトラヒドロ-6-クロロ-4-オキソ-2-チオキソキナゾリン-3-酢酸
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： C17H11BrClFN2O3S
Molecular formula furigana： C17-H11-BR-CL-F-N2-O3-S
Molecular weight： 457.700
InChI： InChI=1S/C17H11BrClFN2O3S/c18-10-2-1-9(13(20)5-10)7-21-14-4-3-11(19)6-12(14)16(25)22(17(21)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)
InChI key： CQDVSZIYEISEIZ-UHFFFAOYSA-N
SMILES： OC(=O)Cn1c(=O)c2cc(Cl)ccc2n(Cc2ccc(Br)cc2F)c1=S
Systematic name  (3)：
  • 1-(4-ブロモ-2-フルオロベンジル)-1,2,3,4-テトラヒドロ-6-クロロ-4-オキソ-2-チオキソキナゾリン-3-酢酸
  • 2-{1-[(4-ブロモ-2-フルオロフェニル)メチル]-6-クロロ-4-オキソ-2-スルファニリデン-1,2,3,4-テトラヒドロキナゾリン-3-イル}酢酸
  • 2-{1-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl}acetic acid
Other name (1)：
  • 1-(4-Bromo-2-fluorobenzyl)-1,2,3,4-tetrahydro-6-chloro-4-oxo-2-thioxoquinazoline-3-acetic acid
Thsaurus map：
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