Compound Identification
SMILES
C[C@@H]1N2C(=NC3=C2C(=O)N(CC2=CC=CC=C2F)C(=O)N3C)N(CC(C)=C)N=C1C
InChIKey
InChIKey=SQOJORZOGFAORD-AWEZNQCLSA-N
Formula
C21H23FN6O2
Mass
410.453
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 Fluorobenzenes 1,2,4-triazines N-substituted imidazoles Aryl fluorides Vinylogous amides Heteroaromatic compounds Ureas N-alkylated hydrazones Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - N-substituted imidazole - Benzenoid - Pyrimidine - Triazine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Lactam - N-alkylated hydrazone - Urea - Hydrazone - Azacycle - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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