Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSC2=NN=C3N2C=NC2=C3C(=CS2)C2=CC=C(F)C=C2)SC(C)=C1C
InChIKey
InChIKey=RXTLPAVTCQLDNT-UHFFFAOYSA-N
Formula
C24H20FN5O3S3
Mass
541.63
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
Thienopyrimidines Thiophene carboxylic acids and derivatives N-arylamides Alkylarylthioethers Fluorobenzenes Pyrimidines and pyrimidine derivatives Aryl fluorides Vinylogous amides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Triazolopyrimidine - Aryl thioether - Thiophene carboxylic acid or derivatives - N-arylamide - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Azole - 1,2,4-triazole - Triazole - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organohalogen compound - 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