Compound Identification
SMILES
CCN(CC)C1=NC(C)=CC(OP(=S)(OC)OC)=N1.CCOP(=S)(OCC)SCN1N=C(OC(C)C)SC1=O
InChIKey
InChIKey=DQJDEGXTXOCMAG-UHFFFAOYSA-N
Formula
C21H39N5O7P2S4
Mass
663.76
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
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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
1,3,4-thiadiazol-3-yl-organothiophosphates Thiophosphate triesters Dialkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Dithiophosphate S-esters Dithiophosphate O-esters Heteroaromatic compounds Sulfenyl compounds Organothiophosphorus compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Pyrimidinyl phosphorothioate - 1,3,4-thiadiazol-3-yl-organothiophosphate - Thiophosphate triester - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Dithiophosphate s-ester - Dithiophosphate o-ester - Organic dithiophosphate - Azole - Thiadiazole - Heteroaromatic compound - Tertiary amine - Organoheterocyclic compound - Organothiophosphorus compound - Sulfenyl compound - Azacycle - Ether - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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