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CHEBI:229757 - pyraquinate

ChEBI IDCHEBI:229757
ChEBI Namepyraquinate
Stars
DefinitionA member of the class of quinazolines that is 1-methylquinazoline-2,4(1H,3H)-dione substituted by 3-chlorophenyl, methyl, and {5-[(diethylcarbamoyl)oxy]-1,3-dimethyl-1H-pyrazol-4-yl}carbonyl groups at positions 3, 5, and 6, respectively. It is a herbicide developed by Liaoning Cynda Chemical Co. Ltd.
Last Modified12 March 2024
SubmitterAdnan
DownloadsMolfile
FormulaC27H28ClN5O5
Net Charge0
Average Mass538.004
Monoisotopic Mass537.17790
SMILESCCN(CC)C(=O)Oc1c(C(=O)c2ccc3c(c2C)c(=O)n(-c2cccc(Cl)c2)c(=O)n3C)c(C)nn1C
InChIInChI=1S/C27H28ClN5O5/c1-7-32(8-2)27(37)38-25-22(16(4)29-31(25)6)23(34)19-12-13-20-21(15(19)3)24(35)33(26(36)30(20)5)18-11-9-10-17(28)14-18/h9-14H,7-8H2,1-6H3
InChIKeyQCETYWAAOPFNSO-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor  An EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor that interferes with the activity of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
pyraquinate (CHEBI:229757) has role EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor (CHEBI:38317)
pyraquinate (CHEBI:229757) has role herbicide (CHEBI:24527)
pyraquinate (CHEBI:229757) is a aromatic ketone (CHEBI:76224)
pyraquinate (CHEBI:229757) is a carbamate ester (CHEBI:23003)
pyraquinate (CHEBI:229757) is a monochlorobenzenes (CHEBI:83403)
pyraquinate (CHEBI:229757) is a pyrazoles (CHEBI:26410)
pyraquinate (CHEBI:229757) is a quinazolines (CHEBI:38530)
IUPAC Name 
4-{[3-(3-chlorophenyl)-1,5-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl]carbonyl}-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamate
Synonyms  Source
4-[3-(3-chlorophenyl)-1,5-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro(quinazoline-6-carbonyl)]-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamateAlan Wood's Pesticides
4-{[3-(m-chlorophenyl)-1,2,3,4-tetrahydro-1,5-dimethyl-2,4-dioxoquinazolin-6-yl]carbonyl}-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamateAlan Wood's Pesticides
4-[[3-(3-chlorophenyl)-1,2,3,4-tetrahydro-1,5-dimethyl-2,4-dioxo-6-quinazolinyl]carbonyl]-1,3-dimethyl-1H-pyrazol-5-yl N,N-diethylcarbamateAlan Wood's Pesticides
CDH18119ChEBI
Manual XrefsDatabases
pyraquinateAlan Wood's Pesticides
3551PPDB
Registry NumbersSources
CAS:2378093-62-8Alan Wood's Pesticides
Citations