Compound Identification
SMILES
COC1=C(OCC2=CC=C(C)C=C2)C(Br)=CC(=C1)[C@H]1N2NC=NC2=NC(C)=C1C(N)=O
InChIKey
InChIKey=GNXDHCJDQKAHQX-LJQANCHMSA-N
Formula
C22H22BrN5O3
Mass
484.354
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 Anisoles Phenoxy compounds Methoxybenzenes Toluenes Alkyl aryl ethers Bromobenzenes Aryl bromides Hydropyrimidines Triazolines Amidrazones Primary carboxylic acid amides Formamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives Imines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Triazolopyrimidine - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Halobenzene - Bromobenzene - Alkyl aryl ether - Toluene - 1,6-dihydropyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Hydropyrimidine - Benzenoid - Triazoline - Primary carboxylic acid amide - Carboxylic acid amidrazone - Carboxamide group - Carboxylic acid derivative - Organic 1,3-dipolar compound - Azacycle - Ether - Formamidine - Amidine - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Imine - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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