Compound Identification
SMILES
[O-][N+](=O)C1=CN=C(NCCNC2=NC=C(C3=NC=CN3)C(=N2)C2=C(C(F)=CC=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=PBGNMHYPNAUHFE-UHFFFAOYSA-N
Formula
C21H16F4N8O2
Mass
488.407
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
Trifluoromethylbenzenes Nitroaromatic compounds Aminopyridines and derivatives Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Imidazoles Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Amines Hydrocarbon derivatives Alkyl fluorides Organic salts Organic zwitterions Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - Nitroaromatic compound - Aminopyridine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Imidazole - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organofluoride - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - 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