Compound Identification
SMILES
NC1=NC2=C(NC=N2)C(SCC2=CC(Cl)=C(Cl)C=C2)=N1
InChIKey
InChIKey=BQDMFCWVDWFLSU-UHFFFAOYSA-N
Formula
C12H9Cl2N5S
Mass
326.2
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 6-thiopurines
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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
6-thiopurines
Alternative Parents
Dichlorobenzenes Aminopyrimidines and derivatives Alkylarylthioethers Aryl chlorides Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-thiopurine - Aryl thioether - 1,2-dichlorobenzene - Aminopyrimidine - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Primary amine - Amine - Organic nitrogen 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