Compound Identification
SMILES
BrC1=C2N=C(C=C(NC3=CC=C(C=C3)S(=O)(=O)NCCCN3C=CN=C3)N2N=C1)C1=CC=CC=C1
InChIKey
InChIKey=GJDSBPBKHQMXNL-UHFFFAOYSA-N
Formula
C24H22BrN7O2S
Mass
552.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
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 N-substituted imidazoles Aryl bromides Pyrazoles Aminosulfonyl compounds Heteroaromatic compounds Secondary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonamide - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Benzenesulfonyl group - Aniline or substituted anilines - Aminopyrimidine - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Organosulfonic acid amide - Heteroaromatic compound - Azole - Aminosulfonyl compound - Imidazole - Sulfonyl - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azacycle - Secondary amine - Organobromide - Organohalogen compound - Amine - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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