Compound Identification
SMILES
NS(=O)(=O)C1=CC=CC(=C1)C1=NOC(=N1)C1=C2N=C(C=C(C3CC3)N2N=C1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=HAPHUBCLVFYFPG-UHFFFAOYSA-N
Formula
C24H17F3N6O3S
Mass
526.49
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
Phenyloxadiazoles Trifluoromethylbenzenes Benzenesulfonamides Pyrazolo[1,5-a]pyrimidines Benzenesulfonyl compounds Organosulfonamides Pyrazoles Aminosulfonyl compounds Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organofluorides Organonitrogen compounds Organooxygen compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenyl-1,2,4-oxadiazole - Benzenesulfonamide - Trifluoromethylbenzene - Pyrazolo[1,5-a]pyrimidine - Benzenesulfonyl group - Pyrazolopyrimidine - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - 1,2,4-oxadiazole - Azole - Oxadiazole - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Oxacycle - Azacycle - Organic oxide - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - 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