Compound Identification
SMILES
C[C@@H]1C[NH+](CC2=NC3=C(N2CC2=CC=C(F)C=C2)C(=O)N(C)C(=O)N3C)C[C@@H](C)O1
InChIKey
InChIKey=ZLKNMMMQFFJDSU-ZIAGYGMSSA-O
Formula
C21H27FN5O3
Mass
416.477
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 Pyrimidones Aralkylamines Fluorobenzenes Aryl fluorides N-substituted imidazoles Morpholines Vinylogous amides Quaternary ammonium salts Heteroaromatic compounds Ureas Trialkylamines Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - N-substituted imidazole - Morpholine - Oxazinane - Monocyclic benzene moiety - Pyrimidine - Aryl halide - Benzenoid - Aryl fluoride - Quaternary ammonium salt - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Tertiary amine - Tertiary aliphatic amine - Urea - Lactam - Oxacycle - Azacycle - Dialkyl ether - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic cation - 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