Compound Identification
SMILES
CC1=CC(=NC2=C(C=NN12)C#CC1=CC=C(C=C1)S(N)(=O)=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=QZYUUONTPRRYBG-UHFFFAOYSA-N
Formula
C21H15ClN4O2S
Mass
422.89
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
Benzenesulfonamides Pyrazolo[1,5-a]pyrimidines Benzenesulfonyl compounds Chlorobenzenes Organosulfonamides Aryl chlorides Pyrazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonamide - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Benzenoid - Organosulfonic acid amide - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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