Compound Identification
SMILES
CC(C)CNC1=CC(NS(=O)(=O)C2=CC=CC(=C2)C2=NC(C)=NC=C2)=CC2=C(C)NN=C12
InChIKey
InChIKey=RKESDZNECJDTKA-UHFFFAOYSA-N
Formula
C23H26N6O2S
Mass
450.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Sulfanilides Benzenesulfonamides Indazoles Benzenesulfonyl compounds Secondary alkylarylamines Organosulfonamides Pyrazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonamide - Sulfanilide - Benzopyrazole - Indazole - Benzenesulfonyl group - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Pyrazole - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Secondary amine - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - 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