Compound Identification
SMILES
CCCCN1C2=C(NC(CC3=CC=C(NS(=O)(=O)C4=CN(C)C=N4)C=C3)=N2)C(=O)N(CC2=CC=CC=C2F)C1=O
InChIKey
InChIKey=OWJCXBGUTOMZTE-UHFFFAOYSA-N
Formula
C27H28FN7O4S
Mass
565.62
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
Sulfanilides 6-oxopurines Alkaloids and derivatives Pyrimidones Fluorobenzenes Organosulfonamides Aryl fluorides N-substituted imidazoles Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organooxygen compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Sulfanilide - Alkaloid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azole - Aminosulfonyl compound - Vinylogous amide - Sulfonyl - Organosulfonic acid or derivatives - Imidazole - Urea - Lactam - Azacycle - Organic oxygen compound - Organohalogen compound - Organic oxide - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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