Compound Identification
SMILES
FC1=CC=CC2=C1C(=O)OC21CCC(CC1)C(=O)NC1=NC=C(C=N1)C1=CC=CC=C1
InChIKey
InChIKey=YHAWWQDGDCVYMV-UHFFFAOYSA-N
Formula
C24H20FN3O3
Mass
417.44
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
Phthalides Benzofuranones Isobenzofurans N-arylamides Aryl fluorides Benzene and substituted derivatives Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Isobenzofuranone - Benzofuranone - Phthalide - Isocoumaran - Isobenzofuran - N-arylamide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen 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