Compound Identification
SMILES
CC(C)CN1c2[nH]c(nc2C(=O)N(CC(C)C)C1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)n(C)n1
InChIKey
InChIKey=HJKKLUSNLZNJEQ-UHFFFAOYSA-N
Formula
C25H30FN7O4
Mass
511.558
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 Alkaloids and derivatives Anilides N-arylamides Alkyl aryl ethers Pyrimidones Fluorobenzenes Aryl fluorides Vinylogous amides Pyrazoles Heteroaromatic compounds Imidazoles Secondary carboxylic acid amides Ureas Lactams Azacyclic compounds Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Purinone - 6-oxopurine - Alkaloid or derivatives - Anilide - N-arylamide - Alkyl aryl ether - Halobenzene - Fluorobenzene - Pyrimidone - Aryl halide - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Pyrazole - Urea - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen 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