Compound Identification
SMILES
CN1C2=C(C(=O)N(C)C1=O)[N+](CC(=O)NNC=C1C=C(Br)C=CC1=O)=CN2
InChIKey
InChIKey=DXQUPQBOKWCUFN-UHFFFAOYSA-O
Formula
C16H16BrN6O4
Mass
436.245
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 O-quinomethanes Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid hydrazides Lactams Azacyclic compounds Vinyl bromides Bromoalkenes Hydrocarbon derivatives Organonitrogen compounds Organobromides Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - O-quinomethane - Quinomethane - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Cyclic ketone - Carboxylic acid hydrazide - Ketone - Lactam - Vinyl halide - Vinyl bromide - Bromoalkene - Azacycle - Haloalkene - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - 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