Compound Identification
SMILES
CC(C)(O)C1=CC=C(C=C1)C(=O)NC1=NC2=CC=NN2C(=C1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=HSNFRHHGMPPLLU-UHFFFAOYSA-N
Formula
C23H19F3N4O2
Mass
440.426
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
Trifluoromethylbenzenes Benzamides Pyrazolo[1,5-a]pyrimidines Phenylpropanes Benzoyl derivatives Imidolactams Tertiary alcohols Heteroaromatic compounds Pyrazoles Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Pyrazolo[1,5-a]pyrimidine - Phenylpropane - Pyrazolopyrimidine - Benzoyl - Imidolactam - Benzenoid - Monocyclic benzene moiety - Azole - Pyrazole - Heteroaromatic compound - Tertiary alcohol - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Aromatic alcohol - Organic nitrogen compound - Organic oxide - Alkyl fluoride - Alkyl halide - 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