Compound Identification
SMILES
N[C@](CN1C=NC2=C1NC(=O)NC2=O)([C@H]1C[C@@H]1C(O)=O)C(O)=O
InChIKey
InChIKey=GTVQXKHWYDSDNM-JRHNIRLTSA-N
Formula
C12H13N5O6
Mass
323.265
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 L-alpha-amino acids D-alpha-amino acids Alkaloids and derivatives Pyrimidones N-substituted imidazoles Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids Vinylogous amides Heteroaromatic compounds Ureas Lactams Amino acids Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Alpha-amino acid - Alpha-amino acid or derivatives - Purinone - L-alpha-amino acid - D-alpha-amino acid - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Dicarboxylic acid or derivatives - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Pyrimidine - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Lactam - Amino acid - Amino acid or derivatives - Urea - Azacycle - Carboxylic acid derivative - Carboxylic acid - Primary amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - 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