Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N1C(N)=NC2=C1C(=O)N(CC1CC1)C(=O)N2CC1CC1
InChIKey
InChIKey=BJYKOWSYXIUDNY-UHFFFAOYSA-N
Formula
C20H23N5O4S
Mass
429.5
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 Tosyl compounds Benzenesulfonamides Alkaloids and derivatives Benzenesulfonyl compounds Pyrimidones Aminoimidazoles N-substituted imidazoles Heteroaromatic compounds Sulfonyls Vinylogous amides Organosulfonic acids and derivatives Ureas Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Benzenesulfonamide - Purinone - Tosyl compound - Benzenesulfonyl group - Alkaloid or derivatives - Pyrimidone - Toluene - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Lactam - Urea - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Primary amine - Organic nitrogen compound - 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