Compound Identification
SMILES
COC1=NC(C2=CC=CC=C2)=C(C=O)C(N)=N1
InChIKey
InChIKey=DPWONYKQKTUDFG-UHFFFAOYSA-N
Formula
C12H11N3O2
Mass
229.239
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
Aryl-aldehydes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Alkyl aryl ether - Aminopyrimidine - Aryl-aldehyde - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Organic oxide - Organic oxygen compound - Amine - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic 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