Compound Identification
SMILES
CC1CCC2=C(C1)C1=C(S2)N2C(SCC(=O)NC3=CC=C(C)C=C3)=NN=C2N(C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=DUAWRYWTTFXVPD-UHFFFAOYSA-N
Formula
C27H24ClN5O2S2
Mass
550.09
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
Anilides Thienopyrimidines N-arylamides Alkylarylthioethers Chlorobenzenes Pyrimidones Toluenes Aryl chlorides Triazoles Heteroaromatic compounds Vinylogous amides Thiophenes Lactams Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Triazolopyrimidine - Anilide - Aryl thioether - N-arylamide - Chlorobenzene - Halobenzene - Pyrimidone - Toluene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Vinylogous amide - 1,2,4-triazole - Triazole - Azole - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - 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