Compound Identification
SMILES
CC1=C(SC(NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C2=CC(OCC(F)(F)F)=C(C=C2)C(F)(F)F)=N1)S(N)(=O)=O
InChIKey
InChIKey=XLWDEEZLJTYYKV-UHFFFAOYSA-N
Formula
C21H13F9N6O4S2
Mass
648.48
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 Pyrimidinecarboxamides Pyrazolo[1,5-a]pyrimidines Pyrazole-4-carboxamides Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Alkyl aryl ethers Organosulfonamides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidinecarboxamide - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Pyrazole-4-carboxamide - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Organic oxygen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Alkyl fluoride - Organooxygen compound - Alkyl halide - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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