Compound Identification
SMILES
CC1=CC(CC2=NC(N)=NC(NC3=CC=C(C=C3)C#N)=N2)=C(C)C=C1
InChIKey
InChIKey=LLGOZABJJRJOAC-UHFFFAOYSA-N
Formula
C19H18N6
Mass
330.395
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
p-Xylenes Aniline and substituted anilines 1,3,5-triazine-2,4-diamines 1,3,5-triazines Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-diamine-s-triazine - P-xylene - Xylene - Benzonitrile - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Carbonitrile - Nitrile - Secondary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Organonitrogen compound - Primary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available