Compound Identification
SMILES
C[C@](OC(=O)CCC(O)=O)(C=O)N1CCC(CCN2C(SC3=C(Br)C=C4OCOC4=C3)=NC3=C(N)N=CN=C23)CC1
InChIKey
InChIKey=TWODELCSOMOSNU-SANMLTNESA-N
Formula
C26H29BrN6O7S
Mass
649.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 Benzodioxoles Thiophenol ethers Fatty acid esters Aminopyrimidines and derivatives Piperidines N-substituted imidazoles Imidolactams Dicarboxylic acids and derivatives Aryl bromides Alpha-acyloxy aldehydes Heteroaromatic compounds Carboxylic acid esters Amino acids Sulfenyl compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Acetals Primary amines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diarylthioether - 6-aminopurine - Purine - Imidazopyrimidine - Benzodioxole - Thiophenol ether - Fatty acid ester - Aminopyrimidine - Fatty acyl - Imidolactam - Alpha-acyloxy aldehyde - Benzenoid - Pyrimidine - Piperidine - N-substituted imidazole - Dicarboxylic acid or derivatives - Aryl halide - Aryl bromide - Heteroaromatic compound - Imidazole - Azole - Amino acid - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Amine - Aldehyde - 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