Compound Identification
SMILES
CN1C2=C(N(CC3=CC=C(F)C=C3)C(NCCCO)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=DDEJTTNTNKTQOW-UHFFFAOYSA-N
Formula
C17H20FN5O3
Mass
361.377
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
-
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 Pyrimidones Fluorobenzenes N-substituted imidazoles Aminoimidazoles Aryl fluorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Alkanolamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - Aminoimidazole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Urea - Lactam - Alkanolamine - Azacycle - Organohalogen compound - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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