Compound Identification
SMILES
CN1C2=C(N(CC(O)COC3=CC=C(Br)C=C3)C(NN)=N2)C(=O)NC1=O
InChIKey
InChIKey=HAOUBWHSZMEUMZ-UHFFFAOYSA-N
Formula
C15H17BrN6O4
Mass
425.243
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 Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Bromobenzenes Aryl bromides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Lactams Azacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Pyrimidone - Aryl bromide - Aryl halide - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Lactam - Urea - Secondary alcohol - Azacycle - Ether - Organobromide - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Hydrazine derivative - 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