Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1N2NC(SCC3=CC=CC=C3Cl)=NC2=NC(C)=C1C(N)=O
InChIKey
InChIKey=UREGWSMHHZNRHR-SFHVURJKSA-N
Formula
C21H20ClN5O2S
Mass
441.93
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 Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Hydropyrimidines Triazolines Primary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organochlorides Carbonyl compounds Imines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Triazolopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - 1,6-dihydropyrimidine - Hydropyrimidine - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Triazoline - Primary carboxylic acid amide - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Imine - Organohalogen compound - Organochloride - Organonitrogen 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