Compound Identification
SMILES
CCN1C=NC2=C1C(=O)N(CC(=O)NC1=CC(Br)=CC=C1)C(=O)N2CC1=CC=CC=C1
InChIKey
InChIKey=CYMJEHUHSYUKAR-UHFFFAOYSA-N
Formula
C22H20BrN5O3
Mass
482.338
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
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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 Anilides N-arylamides Pyrimidones Bromobenzenes N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Anilide - N-arylamide - Pyrimidone - Halobenzene - Bromobenzene - N-substituted imidazole - Aryl bromide - Pyrimidine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Vinylogous amide - Azole - Urea - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - 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