Compound Identification
SMILES
OC(=O)C(F)(F)F.CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(CC2=C(F)C=CC(N)=C2)C1=O
InChIKey
InChIKey=CTLSVHAKCXKGFG-UHFFFAOYSA-N
Formula
C27H28F4N6O5
Mass
592.552
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 Acetanilides Alkaloids and derivatives N-acetylarylamines Aniline and substituted anilines Pyrimidones Fluorobenzenes Aryl fluorides Vinylogous amides Acetamides Alpha-halocarboxylic acids Imidazoles Heteroaromatic compounds Ureas Secondary carboxylic acid amides Amino acids and derivatives Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organofluorides Primary amines Organic oxides Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Acetanilide - Purinone - N-acetylarylamine - Alkaloid or derivatives - Anilide - N-arylamide - Aniline or substituted anilines - Pyrimidone - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Aryl fluoride - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Acetamide - Imidazole - Vinylogous amide - Secondary carboxylic acid amide - Lactam - Urea - Amino acid or derivatives - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Alkyl fluoride - Amine - 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