Compound Identification
SMILES
COC1=CC(OC)=C(OC)C=C1[C@@H]1N2NC=NC2=NC(C)=C1C(=O)NC1=CN=CC=C1
InChIKey
InChIKey=ZBFLHTAOXZJMMJ-IBGZPJMESA-N
Formula
C21H22N6O4
Mass
422.445
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
Pyrimidinecarboxamides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers Pyridines and derivatives Hydropyrimidines Triazolines Heteroaromatic compounds Secondary carboxylic acid amides Amidrazones Propargyl-type 1,3-dipolar organic compounds Formamidines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Imines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Triazolopyrimidine - Phenoxy compound - Anisole - N-arylamide - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridine - Monocyclic benzene moiety - Benzenoid - 1,6-dihydropyrimidine - Hydropyrimidine - Triazoline - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - 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