Compound Identification
SMILES
CCCNC(=O)C1=CC(=C(C)C=C1)C1=C2CCN([O-])C(C2=NC(SC)=N1)C1=C(F)C=CC=C1F
InChIKey
InChIKey=QEACGBBQHAASBM-UHFFFAOYSA-N
Formula
C25H25F2N4O2S
Mass
483.56
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
Pyridopyrimidines p-Toluamides Benzamides Benzoyl derivatives Alkylarylthioethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyridopyrimidine - Benzamide - P-toluamide - Toluamide - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Halobenzene - Fluorobenzene - Toluene - Alkylarylthioether - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic anion - 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