Compound Identification
SMILES
CNCCCNC1=NC2=C(N1CC1=CC(F)=CC=C1)C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=UXDLEZCVNHRODR-UHFFFAOYSA-N
Formula
C18H23FN6O2
Mass
374.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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 Aminoimidazoles N-substituted imidazoles Aryl fluorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Purinone - 6-oxopurine - Alkaloid or derivatives - Halobenzene - Fluorobenzene - Pyrimidone - Aminoimidazole - Aryl fluoride - Aryl halide - N-substituted imidazole - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Secondary amine - Secondary aliphatic amine - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - 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