Compound Identification
SMILES
OC(=O)CCCCCCCCCCSC1=NC=NC2=C1N(CC1=CC3=C(SC4=NC=CN=C4N3)C=C1)C=N2
InChIKey
InChIKey=ZBJCORJJAPPSMQ-UHFFFAOYSA-N
Formula
C27H31N7O2S2
Mass
549.71
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organosulfur compounds
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Class
Thioethers
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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-thiopurines Benzothiazines Medium-chain fatty acids Alkylarylthioethers Heterocyclic fatty acids 1,4-thiazines Benzenoids Pyrimidines and pyrimidine derivatives Pyrazines Imidolactams N-substituted imidazoles Heteroaromatic compounds Amino acids Carboxylic acids Secondary amines Azacyclic compounds Monocarboxylic acids and derivatives Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diarylthioether - Benzothiazine - 6-thiopurine - Imidazopyrimidine - Purine - Medium-chain fatty acid - Heterocyclic fatty acid - Alkylarylthioether - Para-thiazine - N-substituted imidazole - Pyrazine - Pyrimidine - Benzenoid - Fatty acyl - Imidolactam - Fatty acid - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Amino acid - Secondary amine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - 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