Compound Identification
SMILES
CC1=NC(C)=C(S1)C1=NC(NC2=CC=C(F)C=C2)=NC(=C1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=CULLHKBXJHXQOD-UHFFFAOYSA-N
Formula
C22H16F4N4S
Mass
444.45
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 Aniline and substituted anilines 2,4,5-trisubstituted thiazoles Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides Heteroaromatic compounds Secondary amines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - 2,4,5-trisubstituted 1,3-thiazole - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Azacycle - Secondary amine - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - 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