Compound Identification
SMILES
COC1=CC=C(NC(=O)C2=C(C)N=C3N=CNN3C2C2=CC(Br)=CC=C2)C=C1
InChIKey
InChIKey=QWBXHDBRDJCQAS-UHFFFAOYSA-N
Formula
C20H18BrN5O2
Mass
440.301
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 Methoxyanilines Pyrimidinecarboxamides Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Hydropyrimidines Triazolines Secondary carboxylic acid amides Amidrazones Azacyclic compounds Formamidines Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Imines Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Triazolopyrimidine - Anilide - Methoxyaniline - Phenol ether - Phenoxy compound - N-arylamide - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Hydropyrimidine - Benzenoid - 1,6-dihydropyrimidine - Monocyclic benzene moiety - Aryl halide - Triazoline - Carboxylic acid amidrazone - Carboxamide group - Secondary carboxylic acid amide - Formamidine - Azacycle - Amidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Imine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen 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