Compound Identification
SMILES
CN1C2=C(N(CC3=CC=C(F)C=C3)C(CN3CCN(CC3)C(=O)C3=CC=CO3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=HCWFVJYMAIZLQQ-UHFFFAOYSA-N
Formula
C24H25FN6O4
Mass
480.5
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 Furoic acid and derivatives 2-heteroaryl carboxamides Fluorobenzenes Pyrimidones Aralkylamines N-alkylpiperazines N-substituted imidazoles Aryl fluorides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Amino acids and derivatives Trialkylamines Ureas Oxacyclic compounds Azacyclic compounds Organic oxides Organofluorides Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 2-heteroaryl carboxamide - Furoic acid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Pyrimidine - Piperazine - N-substituted imidazole - Vinylogous amide - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Furan - Imidazole - Urea - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Oxacycle - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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