Compound Identification
SMILES
CN(C)C(=O)C1=CC(=C(C)C=C1)C1=C2CNC(=O)N(C2=NC(=N1)S(C)(=O)=O)C1=C(F)C=CC=C1F
InChIKey
InChIKey=BHUIEWDBVPGADM-UHFFFAOYSA-N
Formula
C23H21F2N5O4S
Mass
501.51
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
N,N-dialkyl-p-toluamides Benzamides Benzoyl derivatives Pyrimidones Fluorobenzenes Aryl fluorides Imidolactams Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Ureas Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - N,n-dialkyl-p-toluamide - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Benzoyl - Fluorobenzene - Halobenzene - Pyrimidone - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Heteroaromatic compound - Urea - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organofluoride - Organohalogen 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