Compound Identification
SMILES
CC1=NC=CC(=N1)C1=CC(NS(=O)(=O)C2=CC(Br)=C(Cl)N=C2)=CC=C1
InChIKey
InChIKey=AUAOEFXZPLOOCZ-UHFFFAOYSA-N
Formula
C16H12BrClN4O2S
Mass
439.71
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Sulfanilides Pyridinesulfonamides Polyhalopyridines 2-halopyridines Organosulfonamides Aryl chlorides Aryl bromides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Pyridine-3-sulfonamide - Sulfanilide - Polyhalopyridine - 2-halopyridine - Pyridine - Aryl bromide - Aryl chloride - Organosulfonic acid amide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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