Compound Identification
SMILES
CCCN1C2=C(NC(=N2)C2=CC=C(OCC3=NOC(=N3)C3=CC=C(F)C=C3)C=C2)C(=O)N(CCC)C1=O
InChIKey
InChIKey=LHMYROXNDKDUQN-UHFFFAOYSA-N
Formula
C26H25FN6O4
Mass
504.522
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
Phenyloxadiazoles Phenylimidazoles 6-oxopurines Alkaloids and derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Pyrimidones Aryl fluorides Heteroaromatic compounds Vinylogous amides Lactams Ureas Azacyclic compounds Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Phenyl-1,2,4-oxadiazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - 1,2,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Lactam - Oxacycle - Azacycle - Ether - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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