Compound Identification
SMILES
CC1=C(C(N2NC(SCC3=CC=CC=C3)=NC2=N1)C1=CC=CC=C1)C(=O)NC1=CN=CC=C1
InChIKey
InChIKey=LJDCLXAAIUHXIM-UHFFFAOYSA-N
Formula
C25H22N6OS
Mass
454.55
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
Pyrimidinecarboxamides N-arylamides Pyridines and derivatives Hydropyrimidines Benzene and substituted derivatives Triazolines Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Triazolopyrimidine - N-arylamide - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - Pyridine - Benzenoid - Triazoline - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Organic oxide - Organic oxygen compound - Carbonyl group - 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