Compound Identification
SMILES
CCCCN1C2=NN(C=C2C(=O)N(CCCC)C1=O)S(=O)(=O)C1=CC=CC2=C1N=CC=C2
InChIKey
InChIKey=HVWOJPJZLWNSJL-UHFFFAOYSA-N
Formula
C22H25N5O4S
Mass
455.53
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
Quinolines and derivatives Alkaloids and derivatives Pyrazolo[3,4-d]pyrimidines Pyrimidones Benzenoids Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Organosulfonic acids and derivatives Pyrazoles Sulfonyls Lactams Ureas Azacyclic compounds Organic oxides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Quinoline - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Alkaloid or derivatives - Pyrimidone - Pyridine - Pyrimidine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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