Compound Identification
SMILES
CC(=O)C1=C(N)C2=C(N=C(NC3CC3)N=C2S1)C1=CC(O)=CC(Cl)=C1
InChIKey
InChIKey=ZFHBPRUKTJJSAZ-UHFFFAOYSA-N
Formula
C17H15ClN4O2S
Mass
374.84
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
Thienopyrimidines M-chlorophenols Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids Aminopyrimidines and derivatives Chlorobenzenes Aminothiophenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Thienopyrimidine - 3-halophenol - 3-chlorophenol - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aminopyrimidine - Phenol - Secondary aliphatic/aromatic amine - 1-hydroxy-4-unsubstituted benzenoid - Aminothiophene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Thiophene - Ketone - Secondary amine - Azacycle - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Primary amine - Organonitrogen 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