Compound Identification
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=C(S1)C1=CC(=CC=C1)C1=NC(=CC(=N1)C(F)(F)F)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=CCFVOWCZGXGCEV-UHFFFAOYSA-N
Formula
C26H21F6N3O2S2
Mass
585.58
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 2,5-disubstituted thiophenes Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Heteroaromatic compound - Azacycle - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - 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