Compound Identification
SMILES
CC(NC1=CC(Cl)=C(C(Cl)=C1)C1=C2C=CC(SC3=C(F)C=C(F)C=C3)=NN2C=NC1=O)C1=C(C)N=C(C)S1
InChIKey
InChIKey=HOXPCPSNNRGKNS-UHFFFAOYSA-N
Formula
C26H19Cl2F2N5OS2
Mass
590.49
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
Diarylthioethers 2,4,5-trisubstituted thiazoles Thiophenol ethers Aniline and substituted anilines Phenylalkylamines Dichlorobenzenes Secondary alkylarylamines Pyrimidones Fluorobenzenes Aryl chlorides Aryl fluorides Pyridazines and derivatives Heteroaromatic compounds Vinylogous amides Azacyclic compounds Sulfenyl compounds Organofluorides Organooxygen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Diarylthioether - 2,4,5-trisubstituted 1,3-thiazole - Aryl thioether - 1,3-dichlorobenzene - Thiophenol ether - Aniline or substituted anilines - Phenylalkylamine - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyridazine - Aryl fluoride - Aryl chloride - Vinylogous amide - Heteroaromatic compound - Azole - Thiazole - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - 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