Compound Identification
SMILES
COCC(=O)NC1=NC2=NC(CC(N2N1)C1=CC=C(C)C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=DRQXTWKORGLRNV-UHFFFAOYSA-N
Formula
C21H22ClN5O2
Mass
411.89
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
Toluenes Chlorobenzenes Aryl chlorides Hydropyrimidines Triazolines Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids and derivatives Dialkyl ethers Hydrocarbon derivatives Imines Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - 1,4,5,6-tetrahydropyrimidine - Triazoline - Guanidine - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Imine - 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