Compound Identification
SMILES
CC1=CC=C(C)N1C1=C(SC=C1)C1=NN2C(=C1)N=C(C)C=C2C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=GNPYMSCEENBGFT-UHFFFAOYSA-N
Formula
C23H18Cl2N4S
Mass
453.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 Dichlorobenzenes Substituted pyrroles Aryl chlorides Thiophenes Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Benzenoid - Substituted pyrrole - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Thiophene - Pyrrole - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen 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