Compound Identification
SMILES
COC1=CC=C(CC2=NN3C=NC4=C(C(C)=C(C)N4CCC[NH+](C)C)C3=N2)C=C1
InChIKey
InChIKey=OJWFOZFITOJUJT-UHFFFAOYSA-O
Formula
C22H29N6O
Mass
393.514
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
Pyrrolo[2,3-d]pyrimidines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Substituted pyrroles Pyrimidines and pyrimidine derivatives Triazoles Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Triazolopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Benzenoid - 1,2,4-triazole - Azole - Pyrrole - Heteroaromatic compound - Quaternary ammonium salt - Triazole - Tertiary aliphatic amine - Ether - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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