Chem
J-GLOBAL ID：200907028023734127   Nikkaji number：J377.749I

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

3-(3,4-ジクロロベンジル)-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-1-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： C17H11Cl3N2O3S
Molecular formula furigana： C17-H11-CL3-N2-O3-S
Molecular weight： 429.700
InChI： InChI=1S/C17H11Cl3N2O3S/c18-10-2-4-14-11(6-10)16(25)22(17(26)21(14)8-15(23)24)7-9-1-3-12(19)13(20)5-9/h1-6H,7-8H2,(H,23,24)
InChI key： ACXALFCQDGROEF-UHFFFAOYSA-N
SMILES： OC(=O)Cn1c2ccc(Cl)cc2c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=S
Systematic name  (3)：
  • 3-(3,4-ジクロロベンジル)-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-1-酢酸
  • 2-{6-クロロ-3-[(3,4-ジクロロフェニル)メチル]-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-1-イル}酢酸
  • 2-{6-chloro-3-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-1-yl}acetic acid
Other name (1)：
  • 3-(3,4-Dichlorobenzyl)-1,2,3,4-tetrahydro-6-chloro-4-oxo-2-thioxoquinazoline-1-acetic acid
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