Compound Identification
SMILES
OC(=O)C1=CC=C(NC2=NC(=O)C=C(N2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=CJBSMEKKLBSRGH-UHFFFAOYSA-N
Formula
C17H13N3O3
Mass
307.309
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
Benzoic acids Benzoyl derivatives Aniline and substituted anilines Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Amino acids Secondary amines Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Benzoic acid or derivatives - Benzoic acid - Aniline or substituted anilines - Benzoyl - Aminopyrimidine - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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