Compound Identification
SMILES
ClC1=C(NC(=O)CSC2=NC=NC3=C2NC=N3)C=CC(Br)=C1
InChIKey
InChIKey=AWLKXIGXYOVGGN-UHFFFAOYSA-N
Formula
C13H9BrClN5OS
Mass
398.66
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 6-thiopurines
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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
6-thiopurines
Alternative Parents
Anilides N-arylamides Alkylarylthioethers Chlorobenzenes Bromobenzenes Pyrimidines and pyrimidine derivatives Aryl bromides Aryl chlorides Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-thiopurine - Anilide - N-arylamide - Aryl thioether - Halobenzene - Chlorobenzene - Alkylarylthioether - Bromobenzene - Aryl halide - Pyrimidine - Benzenoid - Aryl chloride - Aryl bromide - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6-thiopurines. These are compounds containing a purine that carries a thiol group at the 6-position. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available