Compound Identification
SMILES
CC#CCN1C(=NC2=C1C(=O)N(CC1=C(C=C(Br)C=C1)C#N)C(=O)N2C)N1CCCC(N)C1
InChIKey
InChIKey=WAMHAIZSNAEXKC-UHFFFAOYSA-N
Formula
C23H24BrN7O2
Mass
510.396
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 Dialkylarylamines Benzonitriles Pyrimidones Aminopiperidines Bromobenzenes Aminoimidazoles N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Ureas Lactams Nitriles Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organobromides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Dialkylarylamine - Benzonitrile - Pyrimidone - Halobenzene - 3-aminopiperidine - Bromobenzene - Benzenoid - Aminoimidazole - N-substituted imidazole - Piperidine - Pyrimidine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Urea - Lactam - Azacycle - Nitrile - Carbonitrile - Cyanide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Primary aliphatic amine - Primary amine - 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