Compound Identification
SMILES
[Na].[O-]C(=O)c1ccccc1.Cn1cnc2n(C)c(=O)n(C)c(=O)c12
InChIKey
InChIKey=WKDXHXLJUHINND-UHFFFAOYSA-M
Formula
C15H15N4NaO4
Mass
338.299
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
-
Subclass
Purines and purine derivatives
-
Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Xanthines
Alternative Parents
6-oxopurines Alkaloids and derivatives Benzoic acids Benzoyl derivatives Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid salts Lactams Azacyclic compounds Carboxylic acids Organic alkali metal salts Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic anions
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Purinone - Benzoic acid or derivatives - Benzoic acid - Alkaloid or derivatives - Benzoyl - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Carboxylic acid salt - Lactam - Urea - Monocarboxylic acid or derivatives - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available