Compound Identification
SMILES
CCCNC1=C(C=NC2=NC(SCC3=CC=CC=C3)=NN12)C(=O)OCC
InChIKey
InChIKey=KKPWMCQYUQAVOP-UHFFFAOYSA-N
Formula
C18H21N5O2S
Mass
371.46
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
Pyrimidinecarboxylic acids Aminopyrimidines and derivatives Alkylarylthioethers Benzene and substituted derivatives Vinylogous amides Triazoles Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Triazolopyrimidine - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - 1,2,4-triazole - Triazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen 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