Compound Identification
SMILES
CC1=CC(NC2=NN3C(=N2)N=C(C)C=C3NCCC2=CC=CC=N2)=C(C)C=C1
InChIKey
InChIKey=SQBLNQHQOROOTN-UHFFFAOYSA-N
Formula
C21H23N7
Mass
373.464
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
p-Xylenes Aniline and substituted anilines Aminopyrimidines and derivatives Pyridines and derivatives Triazoles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - P-xylene - Xylene - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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