Compound Identification
SMILES
CN(CC1=CC=CC=C1)C1=NC2=C(N1CC(O)COC1=CC=C(Br)C=C1)C(=O)NC(=O)N2C
InChIKey
InChIKey=MXYYWCNXBKZDAW-UHFFFAOYSA-N
Formula
C23H24BrN5O4
Mass
514.38
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 Benzylamines Dialkylarylamines Phenol ethers Phenoxy compounds Alkyl aryl ethers Bromobenzenes Pyrimidones N-substituted imidazoles Aminoimidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Ureas Lactams Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Benzylamine - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Bromobenzene - Halobenzene - Pyrimidone - Aminoimidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Urea - Secondary alcohol - Lactam - Azacycle - Ether - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Alcohol - Hydrocarbon derivative - 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