Compound Identification
SMILES
CC(=O)N1C2=NN=C([C@H](O)[C@@H](O)[C@H](O)CO)N2C(=CC1=O)C1=CC=CC=C1
InChIKey
InChIKey=OWBWBQYXXZWWIS-VHDGCEQUSA-N
Formula
C17H18N4O6
Mass
374.353
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
Triazolopyrimidines Pyrimidones Benzene and substituted derivatives Vinylogous amides Triazoles Acetamides Heteroaromatic compounds 1,2-diols Secondary alcohols Lactams Azacyclic compounds Organonitrogen compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Triazolopyrimidine - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Vinylogous amide - Acetamide - Secondary alcohol - 1,2-diol - Lactam - Polyol - Azacycle - Alcohol - Organic oxide - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Organic nitrogen compound - 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