Compound Identification
SMILES
ClC1=CC=CC(C=CC(=O)N2CCC(CNC3=CC(=NC4=C(Br)C=NN34)C3=CC=CC=C3Cl)CC2)=C1
InChIKey
InChIKey=FQECMPRXFCFVSA-UHFFFAOYSA-N
Formula
C27H24BrCl2N5O
Mass
585.33
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
Cinnamic acids and derivatives Pyrazolo[1,5-a]pyrimidines N-acylpiperidines Styrenes Aminopyrimidines and derivatives Chlorobenzenes Aryl bromides Aryl chlorides Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - N-acyl-piperidine - Pyrazolopyrimidine - Styrene - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrazole - Azole - Carboxamide group - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organobromide - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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