Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=NC2=C(C=NN2C(=C1)C(F)(F)F)C(=O)NC1=C(Cl)C=C(C=N1)C(F)(F)F
InChIKey
InChIKey=KOTCMUYKISJDEH-UHFFFAOYSA-N
Formula
C22H14ClF6N5O3
Mass
545.83
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Dimethoxybenzenes Pyrazolo[1,5-a]pyrimidines Pyrimidinecarboxamides Pyrazole-4-carboxamides Phenoxy compounds Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Imidolactams Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organonitrogen compounds Organochlorides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - O-dimethoxybenzene - Dimethoxybenzene - Pyrazolo[1,5-a]pyrimidine - Pyrimidinecarboxamide - Pyrazolopyrimidine - Phenoxy compound - Anisole - Pyrazole-4-carboxamide - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Aryl halide - Aryl chloride - Pyridine - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Alkyl halide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available