Compound Identification
SMILES
CC1=C(CNC2=CC(Cl)=C(C(Cl)=C2)C2=C3C=CC(SC4=C(F)C=C(F)C=C4)=NN3C=NC2=O)N=CN1
InChIKey
InChIKey=RVHDFLGNCRBQGX-UHFFFAOYSA-N
Formula
C24H16Cl2F2N6OS
Mass
545.39
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
Diarylthioethers Aniline and substituted anilines Thiophenol ethers Dichlorobenzenes Phenylalkylamines Secondary alkylarylamines Pyrimidones Fluorobenzenes Aryl chlorides Aryl fluorides Pyridazines and derivatives Imidazoles Heteroaromatic compounds Vinylogous amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Diarylthioether - Aryl thioether - 1,3-dichlorobenzene - Phenylalkylamine - Aniline or substituted anilines - Thiophenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Sulfenyl compound - Thioether - Secondary amine - Azacycle - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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