Compound Identification
SMILES
COC1=C(OCC(=O)NC2=CC(C)=CC(C)=C2)C=CC(=C1)C1CC(=O)N=C2N=CNN12
InChIKey
InChIKey=QVKRTHAZGBDTJQ-UHFFFAOYSA-N
Formula
C22H23N5O4
Mass
421.457
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
Anilides m-Xylenes Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Pyrimidones Hydropyrimidines Triazolines Amidrazones N-acylimines Secondary carboxylic acid amides Formamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Anilide - N-arylamide - Phenol ether - Phenoxy compound - Methoxybenzene - Xylene - M-xylene - Anisole - Alkyl aryl ether - Pyrimidone - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Triazoline - Secondary carboxylic acid amide - Carboxamide group - N-acylimine - Carboxylic acid amidrazone - Amidine - Formamidine - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Imine - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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