Compound Identification
SMILES
[B]C1=C2N=C(C=C(NC3CCN(CC3)C(=O)\C=C\C3=CSC=C3)N2N=C1)C1=CC=CC=C1Cl
InChIKey
InChIKey=RCURDQREJJQDPC-AATRIKPKSA-N
Formula
C24H21BClN5OS
Mass
473.79
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 N-acylpiperidines Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Thiophenes Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organic metalloid salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organometalloid compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - N-acyl-piperidine - Pyrazolopyrimidine - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyrazole - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Azole - Carboxamide group - Organic metalloid salt - Carboxylic acid derivative - Azacycle - Organic metalloid moeity - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - 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