Compound Identification
SMILES
FC(F)(F)C1=CC(NC(=O)CSC2=NC(=CC(=O)N2C2=CC=CC=C2)C2=CC=CC=C2)=C(Cl)C=C1
InChIKey
InChIKey=QFUYEGGKYYRCIR-UHFFFAOYSA-N
Formula
C25H17ClF3N3O2S
Mass
515.94
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
Trifluoromethylbenzenes Anilides N-arylamides Alkylarylthioethers Pyrimidones Chlorobenzenes Aryl chlorides Hydropyrimidines Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Carbonyl compounds Alkyl fluorides Organochlorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - Anilide - Aryl thioether - N-arylamide - Chlorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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