Compound Identification
SMILES
CCCCC1=C(C(=O)N(CC2=C(C=CO2)C(O)=O)C(C)=N1)C1=CC=C(C=C1)C1=CC=CC=C1C(O)=O
InChIKey
InChIKey=VJUSFMHDHAKBRJ-UHFFFAOYSA-N
Formula
C28H26N2O6
Mass
486.524
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
Biphenyls and derivatives Benzoic acids Benzoyl derivatives Furoic acids Furan-3-carboxylic acids Pyrimidones Hydropyrimidines Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenyl - 5-phenylpyrimidine - Benzoic acid or derivatives - Benzoic acid - Furoic acid or derivatives - Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Benzoyl - Furoic acid - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Heteroaromatic compound - Furan - Lactam - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen 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