Compound Identification
SMILES
CC(C)N1C(SCCOC2=CC=C(C=C2)C(O)=O)=NC2=C1C(=O)NC(=O)N2C
InChIKey
InChIKey=QSTRGNQZENXMRJ-UHFFFAOYSA-N
Formula
C18H20N4O5S
Mass
404.44
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 Benzoic acids Benzoyl derivatives Phenol ethers Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Pyrimidones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ureas Carboxylic acids Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Aryl thioether - Phenol ether - Benzoyl - Alkylarylthioether - Pyrimidone - Alkyl aryl ether - Benzenoid - N-substituted imidazole - Pyrimidine - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Lactam - Urea - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur 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