Compound Identification
SMILES
NC1=NC=C(CNC2=CC(=NC3=C(Br)C=NN23)C2=CC=CC=C2Cl)C=C1
InChIKey
InChIKey=SQTJYWFGSTZPMP-UHFFFAOYSA-N
Formula
C18H14BrClN6
Mass
429.71
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
Pyrazolo[1,5-a]pyrimidines Chlorobenzenes Aminopyrimidines and derivatives Aminopyridines and derivatives Imidolactams Aryl chlorides Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Aminopyridine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organobromide - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - 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