Compound Identification
SMILES
CC1(CC2=CC=C(C=C2)C2=CN=CN=C2)N2C(=NC=C2S(C)(=O)=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1
InChIKey
InChIKey=JQLYIHPWWPUYFQ-UHFFFAOYSA-N
Formula
C24H19Cl2N5O3S
Mass
528.41
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
Amphetamines and derivatives Dichlorobenzenes N-substituted imidazoles Aryl chlorides Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Amphetamine or derivatives - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - N-substituted imidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfone - Azole - Sulfonyl - Tertiary carboxylic acid amide - Imidazole - Heteroaromatic compound - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organohalogen 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