Compound Identification
SMILES
CN1C2=C(C(=O)N(C)C1=O)[N+](CC(=O)NNC=C1C=C(Br)C=C(Br)C1=O)=CN2
InChIKey
InChIKey=LZJXVECKNOHDIF-UHFFFAOYSA-O
Formula
C16H15Br2N6O4
Mass
515.141
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
-
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 Alpha-haloketones Heteroaromatic compounds Ureas Carboxylic acid hydrazides Lactams Vinyl bromides Azacyclic compounds Bromoalkenes Organobromides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - O-quinomethane - Quinomethane - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Vinylogous amide - Imidazole - Alpha-haloketone - Heteroaromatic compound - Carboxylic acid hydrazide - Ketone - Lactam - Cyclic ketone - Urea - Vinyl halide - Vinyl bromide - Carboxylic acid derivative - Azacycle - Bromoalkene - Haloalkene - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxide - 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