Compound Identification
SMILES
CN1C(OCC#C)=NC2=C1C(=O)N(CC1=CC=C(Br)C=C1)C(=O)N2C
InChIKey
InChIKey=BBQRYFRSDSQGEL-UHFFFAOYSA-N
Formula
C17H15BrN4O3
Mass
403.236
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 Pyrimidones Alkyl aryl ethers Bromobenzenes Aryl bromides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Acetylides Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Alkyl aryl ether - Halobenzene - Bromobenzene - Pyrimidone - Aryl bromide - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Acetylide - Azacycle - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen 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