Compound Identification
SMILES
COC(=O)C(=O)C1=C(N2C(N)=NN=C2N=C1C(=O)OC)C1=CC=C(F)C=C1
InChIKey
InChIKey=OQJBIWZBOXSKBO-UHFFFAOYSA-N
Formula
C16H12FN5O5
Mass
373.3
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 Pyrimidinecarboxylic acids Aryl ketones Fluorobenzenes Alpha-keto acids and derivatives Aryl fluorides Vinylogous amides Triazoles Methyl esters Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Triazolopyrimidine - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Alpha-keto acid - Monocyclic benzene moiety - Keto acid - Heteroaromatic compound - Azole - Vinylogous amide - Triazole - 1,2,4-triazole - Methyl ester - Carboxylic acid ester - Ketone - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - 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