Compound Identification
SMILES
[2H]C(CC)SC1=NC2=C(N=NN2[C@]2([2H])C([2H])([2H])[C@]([2H])(OCC([2H])([2H])O)[C@@]([2H])(O)[C@@]2([2H])O)C(N[C@H]2CC2([2H])C2=C([2H])C(F)=C(F)C([2H])=C2[2H])=N1
InChIKey
InChIKey=OEKWJQXRCDYSHL-GXVMXSOPSA-N
Formula
C23H28F2N6O4S
Mass
535.65
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
Secondary alkylarylamines Alkylarylthioethers Aminopyrimidines and derivatives Fluorobenzenes Imidolactams Aryl fluorides Cyclitols and derivatives Cyclopentanols Triazoles Heteroaromatic compounds 1,2-diols Sulfenyl compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Primary alcohols Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Aryl thioether - Halobenzene - Fluorobenzene - Aminopyrimidine - Secondary aliphatic/aromatic amine - Alkylarylthioether - Cyclitol or derivatives - Cyclopentanol - Pyrimidine - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Benzenoid - Imidolactam - Azole - Triazole - 1,2,3-triazole - Heteroaromatic compound - Cyclic alcohol - 1,2-diol - Secondary alcohol - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Dialkyl ether - Ether - Organosulfur compound - Primary alcohol - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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