Compound Identification
SMILES
CC(=O)NC1=NC=C(C=C1)C(=O)N(CCOCCO)C1=NC=C(CSC2=NC3=C(N2)C(=O)N(C2CC(C2)C(F)(F)F)C(=O)N3CC(F)(F)F)C=C1
InChIKey
InChIKey=BTIKGMWUPFKKQK-UHFFFAOYSA-N
Formula
C30H30F6N8O6S
Mass
744.67
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 Nicotinamides N-acetylarylamines Pyrimidones Alkylarylthioethers Imidolactams Vinylogous amides Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Imidazoles Ureas Secondary carboxylic acid amides Lactams Dialkyl ethers Azacyclic compounds Sulfenyl compounds Organofluorides Carbonyl compounds Primary alcohols Alkyl fluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Nicotinamide - N-acetylarylamine - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkaloid or derivatives - Aryl thioether - N-arylamide - Pyrimidone - Alkylarylthioether - Pyridine - Pyrimidine - Imidolactam - Acetamide - Vinylogous amide - Azole - Tertiary carboxylic acid amide - Imidazole - Heteroaromatic compound - Urea - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Thioether - Carboxylic acid derivative - Dialkyl ether - Ether - Sulfenyl compound - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Alkyl fluoride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Organic oxide - 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