Compound Identification
SMILES
COCC(=O)N1[C@@H](C[C@H](N2N=CN=C12)C1=CC=CC=C1OC)C1=CC=C(OC)C=C1
InChIKey
InChIKey=VJHXOQCTLPFANZ-OALUTQOASA-N
Formula
C22H24N4O4
Mass
408.458
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 Methoxybenzenes Anisoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - 1,2,4-triazole - Triazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - 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