Compound Identification
SMILES
CC(=O)N(N)C1=NC(=NC(C2=CC=C(C=C2)S(C)(=O)=O)=C1C1=CC=CC=C1F)C(F)(F)F
InChIKey
InChIKey=KISZPZXSVWXAAL-UHFFFAOYSA-N
Formula
C20H16F4N4O3S
Mass
468.43
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
Benzenesulfonyl compounds Fluorobenzenes Imidolactams Aryl fluorides Sulfones Heteroaromatic compounds Acetamides Carboxylic acid hydrazides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - 4-phenylpyrimidine - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Acetamide - Sulfonyl - Sulfone - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Organosulfur compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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