Compound Identification
SMILES
COC1=CC=C(C=C1)N1C2=NN=C(SCC(O)=O)N2C2=C(C3=C(CC(C)CC3)S2)C1=O
InChIKey
InChIKey=XWEJXVCILCUKQV-UHFFFAOYSA-N
Formula
C21H20N4O4S2
Mass
456.54
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
Methoxyanilines Thienopyrimidines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Pyrimidones Thiophenes Triazoles Heteroaromatic compounds Vinylogous amides Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Triazolopyrimidine - Methoxyaniline - Anisole - Phenoxy compound - Aryl thioether - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - 1,2,4-triazole - Triazole - Vinylogous amide - Thiophene - Heteroaromatic compound - Lactam - Sulfenyl compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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