Compound Identification
SMILES
CCCCCOC(=O)CSC1=NC2=C(N1CC(O)COC1=CC=CC3=CC=CC=C13)C(=O)NC(=O)N2C
InChIKey
InChIKey=HKUMEDOYHUAFKV-UHFFFAOYSA-N
Formula
C26H30N4O6S
Mass
526.61
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 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 - Pyrimidone - Alkylarylthioether - Benzenoid - Pyrimidine - N-substituted imidazole - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Secondary alcohol - Carboxylic acid ester - Lactam - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxide - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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