Compound Identification
SMILES
CCOC1=C(Cl)C=C(C=C1)[C@@H]1C[C@H](N2NC=NC2=N1)C1=C(F)C=CC(Br)=C1
InChIKey
InChIKey=SQOISYUZZVNIAO-IRXDYDNUSA-N
Formula
C19H17BrClFN4O
Mass
451.72
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Hydropyrimidines Aryl fluorides Triazolines Amidrazones Propargyl-type 1,3-dipolar organic compounds Formamidines Azacyclic compounds Hydrocarbon derivatives Imines Organobromides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Triazoline - Carboxylic acid amidrazone - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Amidine - Formamidine - Ether - Organobromide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Imine - Organohalogen 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