Compound Identification
SMILES
COCC1=CC(OP(=S)(OC)OC)=NC(=N1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=VALQXUCACZQTJR-UHFFFAOYSA-N
Formula
C15H16F3N2O4PS
Mass
408.33
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Organic thiophosphoric acids and derivatives
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Subclass
Thiophosphoric acid esters
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Level 5
Aryl thiophosphates
- Level 6 Pyrimidinyl phosphorothioates
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Level 5
Aryl thiophosphates
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Subclass
Thiophosphoric acid esters
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Class
Organic thiophosphoric acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic thiophosphoric acids and derivatives
Subclass
Thiophosphoric acid esters
Intermediate Tree Nodes
Aryl thiophosphates
Direct Parent
Pyrimidinyl phosphorothioates
Alternative Parents
Trifluoromethylbenzenes Thiophosphate triesters Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidinyl phosphorothioate - Trifluoromethylbenzene - Thiophosphate triester - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Dialkyl ether - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinyl phosphorothioates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where R= pyrimidine, R' = organyl group , and R\" = any atom.
External Descriptors
Not available