Compound Identification
SMILES
COC1=CC=CC(=C1)C1=CN2C(=NC(=C2C2=CC=C(Cl)C=C2)C2=CC=C(Cl)C=C2)N=C1
InChIKey
InChIKey=KUNATZHZJHIPPO-UHFFFAOYSA-N
Formula
C25H17Cl2N3O
Mass
446.33
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
Phenylimidazoles Imidazo[1,2-a]pyrimidines Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - 5-phenylimidazole - 4-phenylimidazole - Imidazo[1,2-a]pyrimidine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Imidazole - Azacycle - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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