Compound Identification
SMILES
CN1C2=C(N(CC3=CC=C(Br)C=C3)C(N\N=C\C3=CC=CS3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=HXJQHCKHKPZXKV-UFFVCSGVSA-N
Formula
C19H17BrN6O2S
Mass
473.35
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 Bromobenzenes Aryl bromides N-substituted imidazoles Vinylogous amides Thiophenes Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrazones Organooxygen compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Thiophene - Heteroaromatic compound - Imidazole - Azole - Lactam - Urea - Hydrazone - Azacycle - Organohalogen compound - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen 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