Compound Identification
SMILES
CC1CCN(CC1)C1=C(C(Cl)=NC2=C(C=NN12)S(O)(=O)=O)C1=C(Cl)C=C(F)C=C1
InChIKey
InChIKey=FTPQLEHIZPBAPP-UHFFFAOYSA-N
Formula
C18H17Cl2FN4O3S
Mass
459.32
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
Pyrazolo[1,5-a]pyrimidines Arylsulfonic acids and derivatives Dialkylarylamines Aminopyrimidines and derivatives Halopyrimidines Fluorobenzenes Chlorobenzenes Piperidines Aryl chlorides Aryl fluorides Sulfonyls Pyrazoles Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Arylsulfonic acid or derivatives - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Halopyrimidine - Piperidine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Aryl chloride - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Azole - Tertiary amine - Azacycle - Organic oxide - Amine - Organohalogen compound - Organochloride - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen 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