Compound Identification
SMILES
CSC1=NC2=C(N1CC1=CC=CC=C1)C(=O)N(OS(=O)(=O)C1=CC=CC=C1)C(=O)N2
InChIKey
InChIKey=RXEJYOIBTCWBMK-UHFFFAOYSA-N
Formula
C19H16N4O5S2
Mass
444.48
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 Benzenesulfonic acids and derivatives Alkaloids and derivatives Arylsulfonic acids and derivatives Benzenesulfonyl compounds Pyrimidones Alkylarylthioethers N-substituted imidazoles Vinylogous amides Sulfonyls Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Benzenesulfonate - Arylsulfonic acid or derivatives - Alkaloid or derivatives - Benzenesulfonyl group - Aryl thioether - Pyrimidone - Alkylarylthioether - Benzenoid - N-substituted imidazole - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Azole - Sulfonyl - Organosulfonic acid or derivatives - Imidazole - Organic sulfonic acid or derivatives - Lactam - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen 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