Compound Identification
SMILES
NC1=NC=NC2=C1N=C(SC1=C(Br)C=C3OCOC3=C1)N2CCC1CCN(CC1)C(=O)[C@@H]1CCN1
InChIKey
InChIKey=KLWAGZICQIJLHC-HNNXBMFYSA-N
Formula
C23H26BrN7O3S
Mass
560.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
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Subclass
Aryl thioethers
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Class
Thioethers
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Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
6-aminopurines Alpha amino acids and derivatives Benzodioxoles N-acylpiperidines Thiophenol ethers Aminopyrimidines and derivatives Primary aromatic amines Aryl bromides N-substituted imidazoles Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Dialkylamines Acetals Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diarylthioether - 6-aminopurine - Alpha-amino acid or derivatives - Benzodioxole - Imidazopyrimidine - N-acyl-piperidine - Purine - Thiophenol ether - Aminopyrimidine - Aryl bromide - Aryl halide - N-substituted imidazole - Piperidine - Primary aromatic amine - Pyrimidine - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Imidazole - Amino acid or derivatives - Azetidine - Carboxamide group - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Secondary amine - Acetal - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organopnictogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors
Not available