Compound Identification
SMILES
COC1=CC(CN)=C(C=C1)N1N=C(C=C1C(=O)NC1=NC=C(C=N1)C1=CC=CC=C1S(N)(=O)=O)C(F)(F)F
InChIKey
InChIKey=XQTLJPUHHJTMBC-UHFFFAOYSA-N
Formula
C23H20F3N7O4S
Mass
547.51
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 Methoxyanilines Benzenesulfonyl compounds 2-heteroaryl carboxamides Pyrazole-5-carboxamides Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Alkyl aryl ethers Aralkylamines Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Phenylpyrazole - Benzenesulfonamide - Methoxyaniline - Benzenesulfonyl group - Anisole - 2-heteroaryl carboxamide - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Methoxybenzene - Pyrazole-5-carboxamide - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Azole - Pyrazole - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Alkyl fluoride - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Alkyl halide - Organic oxide - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - 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