Compound Identification
SMILES
CC1=C(C(N2NC=NC2=N1)C1=C(OCC2=CC=CC=C2)C=CC(Br)=C1)C(N)=O
InChIKey
InChIKey=IKEPZKHDPFJIBM-UHFFFAOYSA-N
Formula
C20H18BrN5O2
Mass
440.301
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 Phenol ethers Phenoxy compounds Alkyl aryl ethers Bromobenzenes Hydropyrimidines Aryl bromides Triazolines Amidrazones Primary carboxylic acid amides Formamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organobromides Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Triazolopyrimidine - Phenol ether - Phenoxy compound - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Benzenoid - 1,6-dihydropyrimidine - Hydropyrimidine - Aryl halide - Monocyclic benzene moiety - Triazoline - Carboxylic acid amidrazone - Carboxamide group - Primary carboxylic acid amide - Ether - Formamidine - Carboxylic acid derivative - Amidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic nitrogen compound - Imine - Organohalogen compound - Carbonyl group - 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