Compound Identification
SMILES
COC(=O)C1=CC(=NC2=C3C(=NN12)N=C(C)C=C3C)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=HCUBZHKOLIYZSD-UHFFFAOYSA-N
Formula
C19H15ClN4O2
Mass
366.81
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
Pyrimidinecarboxylic acids Pyrazolopyridines Pyrazolo[1,5-a]pyrimidines Methylpyridines Chlorobenzenes Aryl chlorides Pyrazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolopyridine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Methylpyridine - Aryl halide - Pyridine - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Methyl ester - Heteroaromatic compound - Pyrazole - Azole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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