Compound Identification
SMILES
CCC1=C(C(N)=NC(\N=C(/C)NC2=CC=C(C=C2)S(=O)(=O)NC2=NC=CC(C)=N2)=N1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=WQWGGKBKAKRTST-UHFFFAOYSA-N
Formula
C25H25ClN8O2S
Mass
537.04
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 Benzenesulfonyl compounds Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Organosulfonamides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Carboxamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organochlorides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Benzenesulfonamide - Benzenesulfonyl group - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl chloride - Organosulfonic acid amide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Imidolactam - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Amidine - Azacycle - Carboxylic acid amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Primary amine - 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