Compound Identification
SMILES
CN1C2=C(N(CC(O)COCC3=CC=CC=C3)C(Br)=N2)C(=O)NC1=O
InChIKey
InChIKey=BGKLKBKVZRCUJW-UHFFFAOYSA-N
Formula
C16H17BrN4O4
Mass
409.24
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 Alkaloids and derivatives Benzylethers Pyrimidones Aryl bromides N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Secondary alcohols Dialkyl ethers Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzylether - Pyrimidone - N-substituted imidazole - Aryl bromide - Pyrimidine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Secondary alcohol - Urea - Lactam - Azacycle - Dialkyl ether - Ether - Organooxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - 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