Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCNC1=CC(=NC2=C(Br)C=NN12)C1=CC=CC=C1Cl
InChIKey
InChIKey=RPPHYSMCRKUNRF-UHFFFAOYSA-N
Formula
C24H25BrClN5O2S
Mass
562.91
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 Phenylpropanes Benzenesulfonyl compounds Aminopyrimidines and derivatives Chlorobenzenes Organosulfonamides Aryl bromides Aryl chlorides Pyrazoles Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Organobromides Organochlorides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonamide - Pyrazolo[1,5-a]pyrimidine - Benzenesulfonyl group - Phenylpropane - Pyrazolopyrimidine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Azole - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Pyrazole - Organic sulfonic acid or derivatives - Azacycle - Organobromide - Organohalogen compound - Organic oxide - Amine - Organochloride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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