Compound Identification
SMILES
OC(=O)CCC(O)=O.CC1=CC(N2NC(=NC2=N1)N1C(=O)CCC1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=LWPOFSWBIHYPJM-UHFFFAOYSA-N
Formula
C20H20ClN5O6
Mass
461.86
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
Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides N-substituted carboxylic acid imides Hydropyrimidines Fatty acids and conjugates Dicarboxylic acids and derivatives Triazolines Dicarboximides Lactams Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids Hydrocarbon derivatives Imines Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
Triazolopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acid - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Pyrrolidone - Triazoline - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Lactam - Guanidine - Carboxylic acid derivative - Carboximidamide - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Imine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - 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