Compound Identification
SMILES
CSC1=NC2=C(C#N)C(NCC3=CSC(=N3)C3=CC=CC=C3)=NN2C(C2=CC(Cl)=CC=C2)=C1C#N
InChIKey
InChIKey=XUQBDBXHRNVFMX-UHFFFAOYSA-N
Formula
C25H16ClN7S2
Mass
514.02
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
Pyrazolo[1,5-a]pyrimidines Chlorobenzenes Alkylarylthioethers 2,4-disubstituted thiazoles Imidolactams Aryl chlorides Pyrazoles Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Benzenoid - Imidolactam - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Pyrazole - Nitrile - Carbonitrile - Azacycle - Thioether - Sulfenyl compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Cyanide - 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