Compound Identification
SMILES
CCCN1C(=O)NC2=C(NC(=N2)C2=CC=C(C=C2)S(=O)(=O)NCCC2=CC=CC=C2)C1=O
InChIKey
InChIKey=UZYVMMMONZXOCT-UHFFFAOYSA-N
Formula
C22H23N5O4S
Mass
453.52
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
-
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 Benzenesulfonamides Alkaloids and derivatives Benzenesulfonyl compounds Pyrimidones Organosulfonamides Heteroaromatic compounds Vinylogous amides Aminosulfonyl compounds Lactams Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Xanthine - 6-oxopurine - Benzenesulfonamide - Purinone - Benzenesulfonyl group - Alkaloid or derivatives - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Organosulfonic acid amide - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen 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