Compound Identification
SMILES
CC1=C(C(N2NC(SCC3=CC=CC=C3Cl)=NC2=N1)C1=CC=CC=C1F)C(N)=O
InChIKey
InChIKey=BOXFODMSQFUZEG-UHFFFAOYSA-N
Formula
C20H17ClFN5OS
Mass
429.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
Pyrimidinecarboxamides Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Hydropyrimidines Triazolines Primary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Imines Organochlorides Hydrocarbon derivatives Organofluorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Triazolopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Triazoline - Primary carboxylic acid amide - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Organosulfur compound - Carbonyl group - Imine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. 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