Compound Identification
SMILES
CC1=NC2=NC(C3=CC=CC=C3)C(=S)C(N2N1)C1=CC=CC=C1
InChIKey
InChIKey=MXFLVYFYQSBYCA-UHFFFAOYSA-N
Formula
C18H16N4S
Mass
320.41
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
Pyrimidinethiones 4-Thiopyrimidines Imidolactams Hydropyrimidines Benzene and substituted derivatives Triazolines Thioketones Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Pyrimidinethione - 4-thiopyrimidine - Thiopyrimidine - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Imidolactam - Triazoline - Thioketone - Carboxylic acid amidrazone - Amidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Thiocarbonyl group - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - 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