Compound Identification
SMILES
CCOC1=C(Cl)C=C(CCC2(CC(=O)C(CC3=NN4C(=N3)N=C(C)C=C4C)C(=O)O2)C2CCCC2)C=C1Cl
InChIKey
InChIKey=BXNOTAJEGCFHLX-UHFFFAOYSA-N
Formula
C28H32Cl2N4O4
Mass
559.49
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
Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Delta valerolactones Pyrimidines and pyrimidine derivatives Oxanes 1,3-dicarbonyl compounds Aryl chlorides Triazoles Heteroaromatic compounds Carboxylic acid esters Cyclic ketones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Aldehydes Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Delta_valerolactone - Halobenzene - Chlorobenzene - Delta valerolactone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Oxane - Pyrimidine - Triazole - 1,2,4-triazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Cyclic ketone - Ketone - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organochloride - Organic nitrogen compound - Organooxygen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organohalogen 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