Compound Identification
SMILES
OC(=O)c1cccnc1.Oc1nc2[nH]cnc2c(=O)n1O
InChIKey
InChIKey=ONCAKHOFAODJIF-UHFFFAOYSA-N
Formula
C11H9N5O5
Mass
291.223
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 Pyridinecarboxylic acids Alkaloids and derivatives Pyrimidones Vinylogous amides Imidazoles Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Xanthine - Purinone - 6-oxopurine - Alkaloid or derivatives - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Pyrimidone - Pyrimidine - Pyridine - Heteroaromatic compound - Vinylogous amide - Imidazole - Azole - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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