Compound Identification
SMILES
CCCC(N1C(CC)=NC2=C(N=CN=C12)C1=C(Cl)C=C(Cl)C=C1)C1=CC(=NO1)C(=O)OCC
InChIKey
InChIKey=CYOQAXQCMHSMTE-UHFFFAOYSA-N
Formula
C23H23Cl2N5O3
Mass
488.37
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
Purines and purine derivatives Dichlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Isoxazoles Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - Imidazopyrimidine - Purine - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Isoxazole - Imidazole - Carboxylic acid ester - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen 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