Compound Identification
SMILES
CN1C2=C(N(CC3=CC=C(C=C3)C(C3CCCC3)C(=O)N[C@@H](CO)C3=CC=CC=C3)C(Br)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=OBLBYXPITXOIAS-NQCNTLBGSA-N
Formula
C29H32BrN5O4
Mass
594.51
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 Aromatic monoterpenoids Bicyclic monoterpenoids Phenylacetamides Alkaloids and derivatives Pyrimidones Aryl bromides N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Purinone - Phenylacetamide - Alkaloid or derivatives - Pyrimidone - Benzenoid - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Secondary carboxylic acid amide - Urea - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Primary alcohol - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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