Compound Identification
SMILES
CC(=O)C1=C(N)C2=C(N=C(NCCC3=CC=CC=C3)N=C2S1)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=JXRZJUZBLQBHME-UHFFFAOYSA-N
Formula
C22H18Cl2N4OS
Mass
457.37
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
Thienopyrimidines Dichlorobenzenes Aryl alkyl ketones Secondary alkylarylamines Aminopyrimidines and derivatives Aryl chlorides Aminothiophenes Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Thienopyrimidine - 1,2-dichlorobenzene - Aryl ketone - Aryl alkyl ketone - Aminopyrimidine - Secondary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aminothiophene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Thiophene - Heteroaromatic compound - Ketone - Azacycle - Secondary amine - Organic oxide - Organohalogen compound - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - 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