Compound Identification
SMILES
CCOC(=O)[C@@H](CC)SC1=NC2=C(N1CC(N)=O)C(=O)NC(=O)N2C
InChIKey
InChIKey=BKHVFUYRLOVIMO-SSDOTTSWSA-N
Formula
C14H19N5O5S
Mass
369.4
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
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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 Pyrimidones Alkylarylthioethers Fatty acid esters N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Primary carboxylic acid amides Lactams Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Fatty acid ester - Pyrimidone - Alkylarylthioether - N-substituted imidazole - Pyrimidine - Fatty acyl - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - 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