Compound Identification
SMILES
ClC1=CC(Cl)=C(CNC2=CC(=NC3=CC=NN23)C2=CC=C(C=C2)N2CCCS2(=O)=O)C=C1
InChIKey
InChIKey=OEDWFGCDOAYHNA-UHFFFAOYSA-N
Formula
C22H19Cl2N5O2S
Mass
488.39
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 Pyrazolo[1,5-a]pyrimidines Benzylamines Dichlorobenzenes Aminopyrimidines and derivatives Gamma sultams Aryl chlorides Organosulfonamides Organic sulfonamides Pyrazoles Heteroaromatic compounds Azacyclic compounds Amines Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Sulfanilide - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Benzylamine - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Gamma-sultam - Aminopyrimidine - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Hydrocarbon derivative - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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