Compound Identification
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C1=CC(=NC(NC2CCOCC2)=N1)C(F)(F)F
InChIKey
InChIKey=CZZCGYYJTPWNON-UHFFFAOYSA-N
Formula
C17H18F3N3O3S
Mass
401.4
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
Benzenesulfonyl compounds Aminopyrimidines and derivatives Oxanes Sulfones Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonyl group - Aminopyrimidine - Monocyclic benzene moiety - Oxane - Benzenoid - Heteroaromatic compound - Sulfone - Sulfonyl - Dialkyl ether - Ether - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - 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