Compound Identification
SMILES
CSC1=NC=C(C#N)C2=NC(NN12)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=MIHZRRJYOYOPOL-UHFFFAOYSA-N
Formula
C13H10ClN5S
Mass
303.77
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
Chlorobenzenes Imidolactams Hydropyrimidines Aryl chlorides Triazolines Amidrazones Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Amidines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Hydropyrimidine - 1,6-dihydropyrimidine - Triazoline - Carboxylic acid amidrazone - Amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carbonitrile - Nitrile - Cyanide - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Organochloride - 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