Compound Identification
SMILES
CCCN1C2=C(NC(=N2)C2=CN=C(C=C2)N(CCN2CCCCC2)C(=O)C2=CN=C(C=C2)C(F)(F)F)C(=O)N(C2CC2)C1=O
InChIKey
InChIKey=XLHBCJMUAJETQC-UHFFFAOYSA-N
Formula
C30H33F3N8O3
Mass
610.642
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 Piperidines Imidolactams Vinylogous amides Imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Ureas Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkaloid or derivatives - Pyrimidone - Imidolactam - Piperidine - Pyrimidine - Pyridine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Urea - Carboxamide group - Tertiary aliphatic amine - Lactam - Tertiary amine - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alkyl fluoride - Alkyl halide - 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