Compound Identification
SMILES
CN(C)CCNS(=O)(=O)C1=CC=C(NC2=CC(=NC3=C(Br)C=NN23)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=SOHDIRMGZQEEBJ-UHFFFAOYSA-N
Formula
C22H23BrN6O2S
Mass
515.43
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 Aniline and substituted anilines Aminopyrimidines and derivatives Organosulfonamides Aryl bromides Pyrazoles Heteroaromatic compounds Aminosulfonyl compounds Trialkylamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonamide - Pyrazolo[1,5-a]pyrimidine - Benzenesulfonyl group - Pyrazolopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Pyrazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organobromide - Organohalogen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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