Compound Identification
SMILES
[K+].CCN1C2=C(NC(=N2)C2=CC(=CC=C2)S([O-])(=O)=O)C(=O)N(CC)C1=O
InChIKey
InChIKey=JRQZZGKGKVQWJR-UHFFFAOYSA-M
Formula
C15H15KN4O5S
Mass
402.47
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
Phenylimidazoles 6-oxopurines Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Alkaloids and derivatives Benzenesulfonyl compounds Pyrimidones Heteroaromatic compounds Vinylogous amides Organosulfonic acids Sulfonyls Lactams Ureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 2-phenylimidazole - 6-oxopurine - Benzenesulfonate - Purinone - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Alkaloid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Organic sulfonic acid or derivatives - Vinylogous amide - Imidazole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Lactam - Urea - Azacycle - Organic alkali metal salt - Organic potassium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - 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