Compound Identification
SMILES
[B]C1=C2N=C(C=C(NCC3CCCN(C3)S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3)N2N=C1)C1=CC=CC=C1Cl
InChIKey
InChIKey=BRCFLEPWRYJROM-UHFFFAOYSA-N
Formula
C24H21BCl3N5O2S
Mass
560.69
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
Benzenesulfonamides Pyrazolo[1,5-a]pyrimidines Benzenesulfonyl compounds Dichlorobenzenes Aminopyrimidines and derivatives Aryl chlorides Piperidines Organosulfonamides Heteroaromatic compounds Sulfonyls Pyrazoles Organic metalloid salts Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides Organochlorides Organometalloid compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonamide - Pyrazolo[1,5-a]pyrimidine - Benzenesulfonyl group - Pyrazolopyrimidine - 1,3-dichlorobenzene - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Organosulfonic acid amide - Benzenoid - Pyrazole - Azole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azacycle - Organic metalloid salt - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic metalloid moeity - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organosulfur 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