Compound Identification
SMILES
CN1C2=C(N(C[C@@H](O)COC3=CC=C(F)C=C3)C(OC(=O)C3=CC=CC=C3)=N2)C(=O)NC1=O
InChIKey
InChIKey=PKOKAERYVONVSL-OAHLLOKOSA-N
Formula
C22H19FN4O6
Mass
454.414
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 Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Phenol ethers Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Pyrimidones N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Vinylogous amides Lactams Carboxylic acid esters Secondary alcohols Ureas Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Benzoate ester - Purinone - Benzoic acid or derivatives - Alkaloid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Lactam - Urea - Carboxylic acid ester - Secondary alcohol - Azacycle - Ether - Carboxylic acid derivative - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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