Compound Identification
SMILES
CCCCN1C2=C(N(C=N2)C2OC(OC(C)=O)C(O)C2O)C(=O)N(CCCC)C1=O
InChIKey
InChIKey=MRTZWLWZFJCUDS-UHFFFAOYSA-N
Formula
C19H28N4O7
Mass
424.454
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
Pentoses 6-oxopurines Alkaloids and derivatives Pyrimidones N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Lactams Carboxylic acid esters 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Purinone - Pentose monosaccharide - 6-oxopurine - Alkaloid or derivatives - Pyrimidone - Pyrimidine - N-substituted imidazole - Monosaccharide - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Imidazole - Azole - Urea - Secondary alcohol - Lactam - Carboxylic acid ester - 1,2-diol - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - 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