Compound Identification
SMILES
CC1=CC(=C(F)C=C1)C1=CN=C(NC(=O)C2CCC3(CC2)OC(=O)C2=C3C=C[N+]([O-])=C2)N=C1
InChIKey
InChIKey=DRYZBIGSFKOBCN-UHFFFAOYSA-N
Formula
C24H21FN4O4
Mass
448.454
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
Pyridinecarboxylic acids N-arylamides Toluenes Fluorobenzenes Pyridinium derivatives Aryl fluorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Organic salts Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Pyridine carboxylic acid - N-arylamide - Fluorobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Pyridinium - Pyridine - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactone - Azacycle - Oxacycle - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic salt - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic cation - 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