Compound Identification
SMILES
COC1=NC(C2=CC=CC=C2)=C2C=C(C#N)C(N)=NC2=N1
InChIKey
InChIKey=PPAPVTQVDPYHJD-UHFFFAOYSA-N
Formula
C15H11N5O
Mass
277.287
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
Pyrido[2,3-d]pyrimidines Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Alkyl aryl ether - Aminopyridine - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Cyanide - Organooxygen compound - Hydrocarbon derivative - 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