Compound Identification
SMILES
OCCNS(=O)(=O)C1=CC=CC(NC2=CC(=NC3=C(Br)C=NN23)C2=CC=CC=C2)=C1
InChIKey
InChIKey=LVMINNFQFGNHDY-UHFFFAOYSA-N
Formula
C20H18BrN5O3S
Mass
488.36
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 Aryl bromides Organosulfonamides Heteroaromatic compounds Pyrazoles Aminosulfonyl compounds Secondary amines Azacyclic compounds Alkanolamines Hydrocarbon derivatives Primary alcohols Organic oxides Organobromides
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 - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Aminosulfonyl compound - Sulfonyl - Azole - Azacycle - Secondary amine - Alkanolamine - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organosulfur compound - Alcohol - Organic oxide - Primary alcohol - Hydrocarbon derivative - 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