Compound Identification
SMILES
CC1=CC(NC2=NC=CC(=N2)C2=NC(CC#N)=CS2)=CC(C)=C1
InChIKey
InChIKey=WAQIEKGKCOJQJK-UHFFFAOYSA-N
Formula
C17H15N5S
Mass
321.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
m-Xylenes
Alternative Parents
Aniline and substituted anilines Aminopyrimidines and derivatives 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-xylene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Pyrimidine - Azole - Heteroaromatic compound - Thiazole - Carbonitrile - Nitrile - Azacycle - Secondary amine - Organoheterocyclic compound - Organic nitrogen compound - Amine - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
External Descriptors
Not available