Compound Identification
SMILES
CCOC(=O)CCCCCCCCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O
InChIKey
InChIKey=WTZOGSUWXSMIIO-UHFFFAOYSA-N
Formula
C20H32N4O4
Mass
392.5
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 Pyrimidones Fatty acid esters N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Fatty acid ester - Pyrimidone - Fatty acyl - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Carboxylic acid ester - Urea - Lactam - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen 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