Compound Identification
SMILES
ClC1=CC=CC=C1C1=NC2=C(Br)C=NN2C(NCC2=CC3=C(C=C2)N=CN3)=C1
InChIKey
InChIKey=YYJSHVMQGAKVTN-UHFFFAOYSA-N
Formula
C20H14BrClN6
Mass
453.73
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
Pyrazolo[1,5-a]pyrimidines Benzimidazoles Chlorobenzenes Aminopyrimidines and derivatives Aryl chlorides Aryl bromides Pyrazoles Imidazoles Heteroaromatic compounds Azacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Benzimidazole - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Pyrazole - Imidazole - Azacycle - Organonitrogen compound - Organic nitrogen compound - Amine - Organochloride - Organobromide - Hydrocarbon derivative - Organohalogen 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