Compound Identification
SMILES
COC1=CC2=C(NC=C2CCNC2=NC=NC=C2C2=CC=CC(=C2)C#N)C=C1
InChIKey
InChIKey=KHUILZNAQAMDOM-UHFFFAOYSA-N
Formula
C22H19N5O
Mass
369.428
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
3-alkylindoles Benzonitriles Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Substituted pyrroles Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - 3-alkylindole - Indole - Indole or derivatives - Anisole - Benzonitrile - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Nitrile - Carbonitrile - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Cyanide - 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