Compound Identification
SMILES
[B]C1=C2N=C(C=C(NCC3CCCN(C3)C(=O)NC3=CC(Cl)=C(Cl)C=C3)N2N=C1)C1=CC=CC=C1Cl
InChIKey
InChIKey=LLOUPHPNGRSDFX-UHFFFAOYSA-N
Formula
C25H22BCl3N6O
Mass
539.65
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
N-phenylureas Pyrazolo[1,5-a]pyrimidines Piperidinecarboxamides Dichlorobenzenes Aminopyrimidines and derivatives Aryl chlorides Pyrazoles Heteroaromatic compounds Ureas Azacyclic compounds Organic metalloid salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organometalloid compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - N-phenylurea - Pyrazolo[1,5-a]pyrimidine - 1-piperidinecarboxamide - Piperidinecarboxamide - Pyrazolopyrimidine - 1,2-dichlorobenzene - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyrazole - Azole - Heteroaromatic compound - Urea - Azacycle - Organic metalloid salt - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic metalloid moeity - Organochloride - Amine - Organic nitrogen compound - 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