Compound Identification
SMILES
CN1C2=C(N3CC(=NNC3=N2)C2=CC=C(Br)C=C2)C(=O)NC1=O
InChIKey
InChIKey=BNNNUMUOVSNWHM-UHFFFAOYSA-N
Formula
C14H11BrN6O2
Mass
375.186
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
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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 Pyrimidones Bromobenzenes 1,2,4-triazines N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Ureas Lactams Hydrazones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Triazine - Benzenoid - 1,2,4-triazine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Lactam - Azacycle - Hydrazone - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - 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