Compound Identification
SMILES
CCCCCCCCCCCCN1C(NN\C=C2\C=C(Br)C=CC2=O)=NC2=C1C(=O)NC(=O)N2C
InChIKey
InChIKey=UYDWSDACVVNESY-ZCXUNETKSA-N
Formula
C25H35BrN6O3
Mass
547.498
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 O-quinomethanes Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Bromoalkenes Azacyclic compounds Vinyl bromides Organic oxides Hydrocarbon derivatives Hydrazines and derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - O-quinomethane - Quinomethane - Pyrimidone - N-substituted imidazole - Pyrimidine - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Cyclic ketone - Ketone - Lactam - Urea - Bromoalkene - Haloalkene - Azacycle - Vinyl halide - Vinyl bromide - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrazine derivative - Hydrocarbon derivative - Carbonyl group - 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