Compound Identification
SMILES
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=IDVZECMZGFFJAP-UHFFFAOYSA-N
Formula
C25H27FN6O3
Mass
478.528
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
Acetanilides 6-oxopurines Alkaloids and derivatives N-acetylarylamines Aniline and substituted anilines Fluorobenzenes Pyrimidones Aryl fluorides Imidazoles Heteroaromatic compounds Vinylogous amides Acetamides Secondary carboxylic acid amides Lactams Ureas Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Acetanilide - Purinone - N-acetylarylamine - Alkaloid or derivatives - Anilide - Aniline or substituted anilines - N-arylamide - Fluorobenzene - Halobenzene - Pyrimidone - Benzenoid - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Vinylogous amide - Acetamide - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Urea - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Primary amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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