Compound Identification
SMILES
CC(C)CN1C=NC2=C1C(=O)N(CC(=O)NC1=C(C=C(F)C=C1)[N+]([O-])=O)C(=O)N2CC1=CC=CC=C1
InChIKey
InChIKey=AYIBVRYUUCDKAH-UHFFFAOYSA-N
Formula
C24H23FN6O5
Mass
494.483
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 Anilides Nitrobenzenes N-arylamides Nitroaromatic compounds Fluorobenzenes Pyrimidones N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Vinylogous amides Ureas Lactams Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Pyrimidone - Fluorobenzene - Halobenzene - N-substituted imidazole - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl fluoride - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Lactam - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Organic zwitterion - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - 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