Compound Identification
SMILES
CN1C2=C(N(CC(=O)NNC(=O)C3=CC=C(NS(=O)(=O)C4=CC=CS4)C=C3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=ZUUNUKCYUHPESN-UHFFFAOYSA-N
Formula
C20H19N7O6S2
Mass
517.54
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 Sulfanilides Alkaloids and derivatives Benzoic acids and derivatives Benzoyl derivatives Pyrimidones N-substituted imidazoles Organosulfonamides Heteroaromatic compounds Vinylogous amides Thiophenes Aminosulfonyl compounds Lactams Carboxylic acid hydrazides Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Sulfanilide - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Organosulfonic acid amide - Benzenoid - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azole - Vinylogous amide - Thiophene - Imidazole - Urea - Carboxylic acid hydrazide - Lactam - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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