Chem
J-GLOBAL ID：200907056484979575   Nikkaji number：J377.751K

3-(3,4-Dichlorobenzyl)-1,2,3,4-tetrahydro-6-chloro-4-oxoquinazoline-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： C17H13Cl3N2O3
Molecular formula furigana： C17-H13-CL3-N2-O3
Molecular weight： 399.650
InChI： InChI=1S/C17H13Cl3N2O3/c18-11-2-4-15-12(6-11)17(25)22(9-21(15)8-16(23)24)7-10-1-3-13(19)14(20)5-10/h1-6H,7-9H2,(H,23,24)
InChI key： PDLYAVLCROYZAY-UHFFFAOYSA-N
SMILES： OC(=O)CN1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cc(Cl)ccc12
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-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-1,2,3,4-tetrahydroquinazolin-1-yl}acetic acid
Other name (1)：
  • 3-(3,4-Dichlorobenzyl)-1,2,3,4-tetrahydro-6-chloro-4-oxoquinazoline-1-acetic acid
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