Compound Identification
SMILES
CCOC1=C(OCC2=CC=CC=C2F)C=CC(=C1)[C@@H]1N2NC=NC2=NC(C)=C1C(=O)NC1=CC=C(Cl)C=C1
InChIKey
InChIKey=MTOPWIYTPHPSOH-SANMLTNESA-N
Formula
C28H25ClFN5O3
Mass
533.99
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 Anilides Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Hydropyrimidines Triazolines Secondary carboxylic acid amides Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Formamidines Organofluorides Imines Organic oxides Carbonyl compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Triazolopyrimidine - Anilide - Phenol ether - Phenoxy compound - N-arylamide - Halobenzene - Fluorobenzene - Alkyl aryl ether - Chlorobenzene - Hydropyrimidine - Benzenoid - Aryl chloride - 1,6-dihydropyrimidine - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Triazoline - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Carboxamide group - Amidine - Formamidine - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - 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