Compound Identification
SMILES
CSC1=NC(C2=CC=CC=C2C)=C2C(NCCCN(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C2=O)=N1
InChIKey
InChIKey=DZNOYMAWKBBNIQ-UHFFFAOYSA-N
Formula
C25H22F6N4OS
Mass
540.53
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 Alkylarylthioethers Toluenes Imidolactams Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Organic oxides Amines Hydrocarbon derivatives Alkyl fluorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - Aryl thioether - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Amine - 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