Compound Identification
SMILES
CCC1=CC=C(OC[C@@H](O)CN2C(SCCC([O-])=O)=NC3=C2C(=O)NC(=O)N3C)C=C1
InChIKey
InChIKey=ANVXJYFGSYVLIN-ZDUSSCGKSA-M
Formula
C20H23N4O6S
Mass
447.49
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
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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 Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Alkylarylthioethers N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Carboxylic acid salts Lactams Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Secondary alcohol - Carboxylic acid salt - Lactam - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organosulfur compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic anion - 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