Compound Identification
SMILES
OC1=C(Cl)C=CC(=C1)C1=CC(NC2=CN=CC=C2)=NC(=N1)N1CCOCC1
InChIKey
InChIKey=CPWLDZXVPJHWPL-UHFFFAOYSA-N
Formula
C19H18ClN5O2
Mass
383.84
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
O-chlorophenols Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aminopyridines and derivatives Aminopyrimidines and derivatives Chlorobenzenes Morpholines Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Dialkyl ethers Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 2-chlorophenol - 2-halophenol - Dialkylarylamine - Aminopyridine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Halobenzene - Chlorobenzene - Phenol - Aryl chloride - Pyridine - Benzenoid - Imidolactam - Oxazinane - Monocyclic benzene moiety - Aryl halide - Morpholine - Heteroaromatic compound - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - 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