Compound Identification
SMILES
CCCCN1C2=C(N(C=N2)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)N(CCCC)C1=O
InChIKey
InChIKey=ODWSQLXJJYMAJT-UHFFFAOYSA-N
Formula
C23H32N4O4S
Mass
460.59
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 Benzenesulfonamides Alkaloids and derivatives Benzenesulfonyl compounds Phenylpropanes Pyrimidones N-substituted imidazoles Organosulfonic acids and derivatives Heteroaromatic compounds Vinylogous amides Sulfonyls Lactams Ureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Benzenesulfonamide - Purinone - Phenylpropane - Benzenesulfonyl group - Alkaloid or derivatives - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Lactam - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen 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