Compound Identification
SMILES
[Na+].[Na+].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=UOPRJHVTJKXNGQ-IOQIQHHOSA-L
Formula
C29H22N8Na2O11S3
Mass
800.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
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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 Dicarboxylic acids and derivatives Benzene and substituted derivatives Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Ketones Amino acids Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Primary amines Organic zwitterions Organic sodium salts
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 - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Thiazole - Carboxamide group - Carboxylic acid salt - Ketone - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Organic alkali metal salt - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Organic salt - Amine - Organic oxygen compound - Organic sodium salt - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Primary amine - Carbonyl group - 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