Compound Identification
SMILES
COC1=C(NC(=O)CCC2=C(C)N3N=C(SC)N=C3N=C2C)C=C(C=C1)C(C)(C)C
InChIKey
InChIKey=WJSQNLNGUJGUII-UHFFFAOYSA-N
Formula
C22H29N5O2S
Mass
427.57
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
Anilides Methoxyanilines Phenylpropanes Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Fatty amides Pyrimidines and pyrimidine derivatives Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpropane - Triazolopyrimidine - Methoxyaniline - Anilide - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Fatty amide - Pyrimidine - Benzenoid - Fatty acyl - 1,2,4-triazole - Triazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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