Compound Identification
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C1=CC=C(C=C1)C1=NC2=C(N1CC1=CC=CC=C1)C(=O)N(CC1CCCCC1)C(=O)N2CC1CCCCC1
InChIKey
InChIKey=YYOWMSBVSTYCPS-UHFFFAOYSA-N
Formula
C52H76N4O13
Mass
965.195
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Phenylimidazoles 6-oxopurines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Carboxylic acid esters Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Benzoate ester - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Pyrimidone - Benzenoid - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Lactam - Urea - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - 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