Compound Identification
SMILES
O[C@@H]1CCC2=C(Cl)C=CC(NC3=NC=NC(=C3)C3=CC=C(C=C3)C(F)(F)F)=C2C1
InChIKey
InChIKey=DJTKBJVKWXYQKY-CQSZACIVSA-N
Formula
C21H17ClF3N3O
Mass
419.83
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Trifluoromethylbenzenes Tetralins Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Secondary alcohols Secondary amines Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - Tetralin - Aminopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary alcohol - Secondary amine - Azacycle - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organooxygen 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