Compound Identification
SMILES
COP(=O)(COCCN1C=NC2=C1N=C(N)N=C2SC1=CC=C(O)C=C1)OCC(F)(F)F
InChIKey
InChIKey=DECSXYDLHCGYSQ-UHFFFAOYSA-N
Formula
C17H19F3N5O5PS
Mass
493.4
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
-
Class
Thioethers
-
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 Thiophenol ethers 1-hydroxy-2-unsubstituted benzenoids Aminopyrimidines and derivatives Dialkyl alkylphosphonates Phosphonic acid esters Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organofluorides Organooxygen compounds Primary amines Organophosphorus compounds Alkyl fluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diarylthioether - 6-thiopurine - Purine - Imidazopyrimidine - Thiophenol ether - Phenol - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Dialkyl alkylphosphonate - Phosphonic acid diester - Pyrimidine - Benzenoid - Phosphonic acid ester - N-substituted imidazole - Monocyclic benzene moiety - Azole - Organophosphonic acid derivative - Heteroaromatic compound - Imidazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Organofluoride - Amine - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organophosphorus compound - 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