Compound Identification
SMILES
COCCN(C(=O)C1=CN=C(C=C1)C(F)(F)F)C1=NC=C(C=C1)C1=NC2=C(N1)C(=O)N(CC=C)C(=O)N2CC=C
InChIKey
InChIKey=IBGRUPPGZAUMSJ-UHFFFAOYSA-N
Formula
C26H24F3N7O4
Mass
555.518
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
-
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 Pyrimidones Imidolactams Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Imidazoles Ureas Lactams Azacyclic compounds Dialkyl ethers Organofluorides Organonitrogen compounds Alkyl fluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkaloid or derivatives - Pyrimidone - Pyridine - Pyrimidine - Imidolactam - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl halide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Alkyl fluoride - 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