Compound Identification
SMILES
NC1=NC2=C(C=NN2CCC2=CC(Br)=C(Br)C=C2Br)C2=NC(=NN12)C1=CC=CO1
InChIKey
InChIKey=KPTQFAWHBROXNC-UHFFFAOYSA-N
Formula
C18H12Br3N7O
Mass
582.054
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
Pyrazolo[3,4-d]pyrimidines Bromobenzenes Aminopyrimidines and derivatives Aryl bromides Triazoles Pyrazoles Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Triazolopyrimidine - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Pyrazole - 1,2,4-triazole - Triazole - Azole - Furan - Azacycle - Oxacycle - Amine - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen 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