Compound Identification
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)N=C(NC(=O)C1=C3N=C(C=C(C(F)F)N3N=C1)C1=CC=CC=C1)S2
InChIKey
InChIKey=MHBGZKFCIOIAEL-UHFFFAOYSA-N
Formula
C22H15F2N5O3S2
Mass
499.51
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
Benzothiazoles Pyrazolo[1,5-a]pyrimidines Pyrimidinecarboxamides Pyrazole-4-carboxamides Benzene and substituted derivatives Vinylogous amides Thiazoles Heteroaromatic compounds Sulfones Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - 1,3-benzothiazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidinecarboxamide - Pyrazole-4-carboxamide - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Sulfone - Sulfonyl - Thiazole - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen 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