Compound Identification
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)\C=C\C1=CC=C(S1)C1=NC2=C(N1)C(=O)N(CC1CCCCC1)C(=O)N2CC1CCCCC1
InChIKey
InChIKey=KVGIZPSKZBDHCZ-FYWRMAATSA-N
Formula
C45H70N4O13S
Mass
907.13
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
6-oxopurines Alkaloids and derivatives Pyrimidones 2,5-disubstituted thiophenes Fatty acid esters Vinylogous amides Imidazoles Heteroaromatic compounds Enoate esters Ureas Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Fatty acid ester - Pyrimidone - 2,5-disubstituted thiophene - Fatty acyl - Pyrimidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azole - Heteroaromatic compound - Thiophene - Imidazole - Urea - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Organonitrogen 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