Compound Identification
SMILES
CCN1C(=O)N(CCO)C2=C(N(CC3=CC(Br)=C(OC)C=C3)C(NC3CCCC3O)=N2)C1=O
InChIKey
InChIKey=RCJYGWGQCPDYSL-UHFFFAOYSA-N
Formula
C22H28BrN5O5
Mass
522.4
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 Anisoles Phenoxy compounds Methoxybenzenes Bromobenzenes Secondary alkylarylamines Pyrimidones Alkyl aryl ethers Aryl bromides Cyclopentanols Aminoimidazoles N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Cyclic alcohols and derivatives Lactams Ureas Azacyclic compounds Alkanolamines Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Pyrimidone - Secondary aliphatic/aromatic amine - Aminoimidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Cyclopentanol - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Cyclic alcohol - Imidazole - Urea - Secondary alcohol - Lactam - Secondary amine - Azacycle - Alkanolamine - Ether - Organic oxide - Organic oxygen compound - Organohalogen compound - Alcohol - Primary alcohol - Organooxygen compound - Organopnictogen compound - Organobromide - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - 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