Compound Identification
SMILES
CCOP(=S)(OCC)OC1=NN2C(N=C(C)C=C2C)=C1Br
InChIKey
InChIKey=ZWNODERPISFVAD-UHFFFAOYSA-N
Formula
C12H17BrN3O3PS
Mass
394.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic thiophosphoric acids and derivatives
-
Subclass
Thiophosphoric acid esters
- Level 5 Aryl thiophosphates
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Subclass
Thiophosphoric acid esters
-
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
Not available
Direct Parent
Aryl thiophosphates
Alternative Parents
Pyrazolo[1,5-a]pyrimidines Thiophosphate triesters Pyrimidines and pyrimidine derivatives Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl thiophosphate - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Thiophosphate triester - Aryl bromide - Aryl halide - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thiophosphates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an aryl group.
External Descriptors
Not available