Compound Identification
SMILES
COC1=CC=C(CNC(=O)N2CCOC(COC3=CC(C)=NC4=NC(SC)=NN34)C2)C=C1
InChIKey
InChIKey=NNPGMZZTINSUHR-UHFFFAOYSA-N
Formula
C21H26N6O4S
Mass
458.54
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
Morpholine carboxylic acids and derivatives Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Triazoles Ureas Oxacyclic compounds Dialkyl ethers Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Morpholine-4-carboxylic acid or derivatives - Triazolopyrimidine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Urea - Sulfenyl compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - 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