Compound Identification
SMILES
CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(C\C=C\Br)C1=O
InChIKey
InChIKey=NWEJJYOHBQXJDA-BJMVGYQFSA-N
Formula
C21H24BrN5O3
Mass
474.359
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 Acetanilides N-acetylarylamines Alkaloids and derivatives Pyrimidones Vinylogous amides Acetamides Imidazoles Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Vinyl bromides Azacyclic compounds Bromoalkenes Hydrocarbon derivatives Organobromides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Acetanilide - Purinone - N-acetylarylamine - Alkaloid or derivatives - Anilide - N-arylamide - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Acetamide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Urea - Haloalkene - Bromoalkene - Azacycle - Carboxylic acid derivative - Vinyl halide - Vinyl bromide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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