Compound Identification
SMILES
CC1CC[N+](CC1)=C1NC2=C(N1CC1=CC(Br)=CC=C1)C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=FMKPHOXKODXVQN-UHFFFAOYSA-O
Formula
C20H25BrN5O2
Mass
447.356
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 Pyrimidones Bromobenzenes Piperidines Aryl bromides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organic cations
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 - Piperidine - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Urea - Lactam - Azacycle - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - 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