Compound Identification
SMILES
FC(F)(F)C1=CC(=NC2=CC(=NN12)C(=O)NC1=C(C#N)C2=C(CCCC2)S1)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=DYSOLZAYGRGFJE-UHFFFAOYSA-N
Formula
C23H14Cl2F3N5OS
Mass
536.35
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
Pyrazolo[1,5-a]pyrimidines Pyrimidinecarboxamides 2-heteroaryl carboxamides Dichlorobenzenes Pyrazole-5-carboxamides Aryl chlorides Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Nitriles Azacyclic compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organooxygen compound - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Cyanide - Alkyl fluoride - Organic oxygen compound - Organonitrogen compound - Organic nitrogen 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