Compound Identification
SMILES
C[C@@H](NC1=C(C(Cl)=NC2=C(C=NN12)C1=NC=CON1)C1=C(Cl)C=C(F)C=C1)C(C)(C)C
InChIKey
InChIKey=OZNPPDZSWOQINS-LLVKDONJSA-N
Formula
C21H21Cl2FN6O
Mass
463.34
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
Pyrazolo[1,5-a]pyrimidines Secondary alkylarylamines Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Halopyrimidines 1,2,4-oxadiazines Aryl chlorides Aryl fluorides Imidolactams Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Amidines Oxacyclic compounds Azacyclic compounds Organofluorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Halopyrimidine - Secondary aliphatic/aromatic amine - Imidolactam - Oxadiazine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - 1,2,4-oxadiazine - Aryl chloride - Heteroaromatic compound - Azole - Pyrazole - Amidine - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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