Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CC(C)CN1C2=C([NH2+]C(CC3=CC=C(Br)C=C3)=N2)C(=O)N(CC2=C3OCOC3=CC=C2)C1=O
InChIKey
InChIKey=KOATWNOFCDKMEB-UHFFFAOYSA-N
Formula
C26H24BrF3N4O6
Mass
625.399
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
-
Subclass
Purines and purine derivatives
-
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
Purinones Benzodioxoles Alkaloids and derivatives Bromobenzenes Pyrimidones Aryl bromides Vinylogous amides Heteroaromatic compounds Alpha-halocarboxylic acids Lactams Ureas Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxamidines Carboxylic acids Oxacyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organobromides Alkyl fluorides Organofluorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
Xanthine - Purinone - Benzodioxole - Alkaloid or derivatives - Pyrimidone - Bromobenzene - Halobenzene - Pyrimidine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Carboxylic acid salt - Acetal - Amidine - Oxacycle - Azacycle - Carboxylic acid amidine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Organopnictogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen 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