Compound Identification
SMILES
ClC1=CC=CC=C1C1=NC2=C(Br)C=NN2C(NCC2=CC=C(CNC(=O)CC3CC3)C=C2)=C1
InChIKey
InChIKey=RSBOFOBYSOPTAG-UHFFFAOYSA-N
Formula
C25H23BrClN5O
Mass
524.85
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
Pyrazolo[1,5-a]pyrimidines Benzylamines Aminopyrimidines and derivatives Chlorobenzenes Aryl bromides Aryl chlorides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Amines Organobromides Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Benzylamine - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organochloride - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organobromide - Organohalogen 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