Compound Identification
SMILES
CC(NC1=NC(=CC(=N1)N1C=NC2=C1C=CC(=C2)C1=NC(N)=NC=C1)C1=CC=CC=C1C)C1CCCN(C1)C(=O)NC1=CC=CC=C1
InChIKey
InChIKey=NJBZYCFAZLYQSU-UHFFFAOYSA-N
Formula
C36H36N10O
Mass
624.753
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
N-phenylureas Piperidinecarboxamides Benzimidazoles Toluenes Aminopyrimidines and derivatives N-substituted imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - N-phenylurea - Benzimidazole - 1-piperidinecarboxamide - Piperidinecarboxamide - Aminopyrimidine - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Primary 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