Compound Identification
SMILES
CC1=NC2=NC(=NN2C(SCC2=C(C3[C@H](SC2)[C@H](NC(=O)C(=N/O[C@@H](C(O)=O)C2=CC(O)=C(O)C=C2)\C2=CSC(N)=N2)C3=O)C(O)=O)=C1)C(O)=O
InChIKey
InChIKey=JTLVVSFYLOBAFH-LXJHIUSKSA-N
Formula
C29H24N8O11S3
Mass
756.74
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
Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,4-disubstituted thiazoles Alkylarylthioethers Thiopyrans Pyrimidines and pyrimidine derivatives 2-amino-1,3-thiazoles Benzene and substituted derivatives Dicarboxylic acids and derivatives Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Ketones Amino acids Azacyclic compounds Sulfenyl compounds Carboxylic acids Dialkylthioethers Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Aryl thioether - Catechol - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyrimidine - Thiopyran - Benzenoid - 1,3-thiazol-2-amine - 1,2,4-triazole - Triazole - Heteroaromatic compound - Thiazole - Azole - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Sulfenyl compound - Thioether - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Primary amine - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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