Compound Identification
SMILES
CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1
InChIKey
InChIKey=OEKWJQXRCDYSHL-FNOIDJSQSA-N
Formula
C23H28F2N6O4S
Mass
522.57
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
Alkylarylthioethers Aminopyrimidines and derivatives Secondary alkylarylamines Fluorobenzenes Aryl fluorides Cyclitols and derivatives Cyclopentanols Imidolactams Triazoles Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Sulfenyl compounds Organofluorides Organopnictogen compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Aryl thioether - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Cyclitol or derivatives - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Cyclopentanol - Pyrimidine - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - 1,2,3-triazole - Triazole - Cyclic alcohol - Secondary alcohol - Secondary amine - Azacycle - Sulfenyl compound - Thioether - Dialkyl ether - Ether - Amine - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Alcohol - Primary alcohol - Organic oxygen compound - Organopnictogen 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
CHEBI:68558 : organofluorine compound - aryl sulfide - secondary amino compound - triazolopyrimidines - hydroxyether