Compound Identification
SMILES
CCOC(=O)[C@@H](CC)SC1=NC2=C(N1C[C@@H](O)COC1=CC=CC3=CC=CC=C13)C(=O)NC(=O)N2C
InChIKey
InChIKey=QGBWDGWFKQAHDP-VQIMIIECSA-N
Formula
C25H28N4O6S
Mass
512.58
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 Naphthalenes Alkaloids and derivatives Phenol ethers Pyrimidones Alkyl aryl ethers Alkylarylthioethers Fatty acid esters N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Lactams Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Naphthalene - Purinone - Alkaloid or derivatives - Aryl thioether - Phenol ether - Alkyl aryl ether - Fatty acid ester - Pyrimidone - Alkylarylthioether - Benzenoid - N-substituted imidazole - Pyrimidine - Fatty acyl - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Urea - Lactam - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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