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CHEBI:82038 - pyriminobac

ChEBI IDCHEBI:82038
ChEBI Namepyriminobac
Stars
DefinitionA member of the class of benzoic acids that is benzoic acid substituted by a (4,6-dimethoxypyrimidin-2-yl)oxy group at position 2 and a N-methoxyethanimidoyl group at position 6. It is a herbicide.
Last Modified2 February 2022
DownloadsMolfile
FormulaC16H17N3O6
Net Charge0
Average Mass347.327
Monoisotopic Mass347.11174
SMILESCON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)O
InChIInChI=1S/C16H17N3O6/c1-9(19-24-4)10-6-5-7-11(14(10)15(20)21)25-16-17-12(22-2)8-13(18-16)23-3/h5-8H,1-4H3,(H,20,21)
InChIKeyDEIKMOQTJBGGAX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
pyriminobac (CHEBI:82038) has role herbicide (CHEBI:24527)
pyriminobac (CHEBI:82038) is a aromatic ether (CHEBI:35618)
pyriminobac (CHEBI:82038) is a benzoic acids (CHEBI:22723)
pyriminobac (CHEBI:82038) is a monocarboxylic acid (CHEBI:25384)
pyriminobac (CHEBI:82038) is a oxime O-ether (CHEBI:36816)
pyriminobac (CHEBI:82038) is a pyrimidines (CHEBI:39447)
Incoming Relation(s)
pyriminobac-methyl (CHEBI:81780) has functional parent pyriminobac (CHEBI:82038)
IUPAC Name 
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(N-methoxyethanimidoyl)benzoic acid
Synonym  Source
2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[1-(methoxyimino)ethyl]benzoic acidChEBI
Manual XrefsDatabases
C18890KEGG COMPOUND
pyriminobacAlan Wood's Pesticides
16738653ChemSpider
Registry NumbersSources
Reaxys:8396124Reaxys
CAS:136191-56-5ChemIDplus
Citations