Compound Identification
SMILES
CSC1=NC2=C(C3=C(COC(C3)C(C)C)S2)C2=NN=C(SCC3=CC=C(Br)C=C3)N12
InChIKey
InChIKey=CGCVWKGOAJQIDQ-UHFFFAOYSA-N
Formula
C21H21BrN4OS3
Mass
521.51
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 Thienopyrans Alkylarylthioethers Bromobenzenes Pyrimidines and pyrimidine derivatives Pyrans Aryl bromides Triazoles Thiophenes Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyran - Thienopyrimidine - Triazolopyrimidine - Aryl thioether - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Pyran - Pyrimidine - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Thiophene - Azacycle - Oxacycle - Sulfenyl compound - Dialkyl ether - Ether - Thioether - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen 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