Compound Identification
SMILES
NC(=N)C1=CC(=CC=C1)N1N=C(C=C1C(=O)NC1=NC=C(C=N1)C1=CC=CC=C1S(N)(=O)=O)C(F)(F)F
InChIKey
InChIKey=CMCYVWKFRRVLKG-UHFFFAOYSA-N
Formula
C22H17F3N8O3S
Mass
530.49
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
Phenylpyrazoles Benzenesulfonamides Benzenesulfonyl compounds 2-heteroaryl carboxamides Pyrazole-5-carboxamides Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Carboximidamides Carboxamidines Azacyclic compounds Alkyl fluorides Organofluorides Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Azole - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboximidamide - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Alkyl halide - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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