Compound Identification
SMILES
CN1C2=C(N(CC(N)=O)C(SCC(O)CO)=N2)C(=O)NC1=O
InChIKey
InChIKey=JUBPTGCYPSNKLE-UHFFFAOYSA-N
Formula
C11H15N5O5S
Mass
329.33
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 Alkylarylthioethers Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds 1,2-diols Ureas Secondary alcohols Primary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Primary alcohols Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Pyrimidone - Alkylarylthioether - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Urea - Primary carboxylic acid amide - 1,2-diol - Carboxamide group - Lactam - Thioether - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Alcohol - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary alcohol - 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