Compound Identification
SMILES
CCCCN1C2=NN(C=C2C(=O)N(CCCC)C1=O)S(=O)(=O)C1=CC=CC=C1C#N
InChIKey
InChIKey=BFGWJNHRELGONY-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
Benzenesulfonamides Alkaloids and derivatives Benzenesulfonyl compounds Pyrazolo[3,4-d]pyrimidines Benzonitriles Pyrimidones Pyrazoles Organosulfonic acids and derivatives Heteroaromatic compounds Vinylogous amides Sulfonyls Lactams Ureas Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Benzenesulfonamide - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Benzenesulfonyl group - Alkaloid or derivatives - Benzonitrile - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Vinylogous amide - Lactam - Urea - Nitrile - Azacycle - Carbonitrile - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - 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