Compound Identification
SMILES
COC1=CC=CC(NC2=NC=CC(=N2)C2=CC(C(O)=O)=C(O[C@@H]3CCOC3)C=C2)=C1
InChIKey
InChIKey=NBEQBVNBNGQWLH-QGZVFWFLSA-N
Formula
C22H21N3O5
Mass
407.426
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
Methoxyanilines Benzoic acids Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Oxolanes Heteroaromatic compounds Amino acids Secondary amines Oxacyclic compounds Carboxylic acids Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Benzoic acid or derivatives - Benzoic acid - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxolane - Amino acid or derivatives - Amino acid - Secondary amine - Azacycle - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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