Compound Identification
SMILES
CN1C2=C(N(C[C@@H](O)COC3=CC=CC=C3C)C(NNC3=C4C=C(Br)C=CC4=NC3=O)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=VBBGUYYDBIYIHO-OAHLLOKOSA-N
Formula
C25H24BrN7O5
Mass
582.415
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 Alpha amino acids and derivatives Alkaloids and derivatives Indoles and derivatives Phenoxy compounds Phenol ethers Toluenes Pyrimidones Alkyl aryl ethers N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols N-acylimines Lactams Azacyclic compounds Organobromides Carbonyl compounds Organic oxides Hydrazines and derivatives Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Alpha-amino acid or derivatives - Purinone - Indole or derivatives - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Toluene - N-substituted imidazole - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Benzenoid - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Lactam - Secondary alcohol - Urea - N-acylimine - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Hydrazine derivative - Organobromide - 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