Compound Identification
SMILES
CN1C2=C(N(CC(=O)NN=C3SCC(=O)N3C3=CC=C(Br)C=C3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=ACGLVSLIMASQBN-UHFFFAOYSA-N
Formula
C18H16BrN7O4S
Mass
506.34
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
-
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 Bromobenzenes Aryl bromides N-substituted imidazoles Vinylogous amides Thiazolidines Heteroaromatic compounds Ureas Lactams Carboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Purinone - 6-oxopurine - Alkaloid or derivatives - Halobenzene - Bromobenzene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Thiazolidine - Vinylogous amide - Imidazole - Urea - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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