Chem
J-GLOBAL ID：200907029233214777   Nikkaji number：J377.746D

1-(4-Bromo-2-fluorobenzyl)-1,2,3,4-tetrahydro-6-chloro-4-oxoquinazoline-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： C17H13BrClFN2O3
Molecular formula furigana： C17-H13-BR-CL-F-N2-O3
Molecular weight： 427.650
InChI： InChI=1S/C17H13BrClFN2O3/c18-11-2-1-10(14(20)5-11)7-21-9-22(8-16(23)24)17(25)13-6-12(19)3-4-15(13)21/h1-6H,7-9H2,(H,23,24)
InChI key： HNBMSLBDOUEOEY-UHFFFAOYSA-N
SMILES： OC(=O)CN1CN(Cc2ccc(Br)cc2F)c2ccc(Cl)cc2C1=O
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-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-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-oxoquinazoline-3-acetic acid
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