Compound Identification
SMILES
CCNC(=O)NC1=NC2=C(N1)C=C(C=C2N1C=CC=N1)C1=CN=C(OCC2=CN=CC=C2)N=C1
InChIKey
InChIKey=OCTIXUOFCYWGFX-UHFFFAOYSA-N
Formula
C23H21N9O2
Mass
455.482
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
Benzimidazoles Alkyl aryl ethers Pyridines and derivatives Benzenoids Pyrazoles Imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Benzimidazole - Alkyl aryl ether - Pyridine - Benzenoid - Azole - Imidazole - Pyrazole - Heteroaromatic compound - Urea - Ether - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen 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