Compound Identification
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)C1=CC=C(NC2=CC(=NC3=C(Br)C=NN23)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=BLKYXDMLSONIQT-UHFFFAOYSA-N
Formula
C28H31BrN6O4S
Mass
627.56
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 Piperidinecarboxylic acids Benzenesulfonyl compounds Aniline and substituted anilines Aminopyrimidines and derivatives Organosulfonamides Aryl bromides Pyrazoles Aminosulfonyl compounds Heteroaromatic compounds Carbamate esters Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonamide - Pyrazolo[1,5-a]pyrimidine - Benzenesulfonyl group - Piperidinecarboxylic acid - Pyrazolopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Organosulfonic acid amide - Azole - Heteroaromatic compound - Aminosulfonyl compound - Carbamic acid ester - Pyrazole - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - 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