Compound Identification
SMILES
CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C.COP(=S)(OC)SCN1N=NC2=CC=CC=C2C1=O
InChIKey
InChIKey=TXFXYTLQWUVKOY-UHFFFAOYSA-N
Formula
C22H33N5O6P2S3
Mass
621.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzo-1,2,3-triazines
- Subclass Benzotriazine organothiophosphates
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Class
Benzo-1,2,3-triazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzo-1,2,3-triazines
Subclass
Benzotriazine organothiophosphates
Intermediate Tree Nodes
Not available
Direct Parent
Benzotriazine organothiophosphates
Alternative Parents
Pyrimidinyl phosphorothioates Thiophosphate triesters Triazinones 1,2,3-triazines Benzenoids Dithiophosphate O-esters Dithiophosphate S-esters Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Lactams Organothiophosphorus compounds Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds
Molecular Framework
Not available
Substituents
Benzotriazine organothiophosphate - Pyrimidinyl phosphorothioate - Aryl thiophosphate - Thiophosphate triester - Triazinone - Thiophosphoric acid ester - Pyrimidine - Dithiophosphate o-ester - Triazine - 1,2,3-triazine - Benzenoid - Organic thiophosphoric acid or derivatives - Dithiophosphate s-ester - Heteroaromatic compound - Organic dithiophosphate - Lactam - Organothiophosphorus compound - Azacycle - Sulfenyl compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzotriazine organothiophosphates. These are aromatic compounds containing a benzo-1,2,3-triazine, which is substituted by an organothiophosphate group at the 3-position. Their general structure is R-CSP(=S)(OR')OR'', where R=benzo-1,2,3-triazine, R',R\" = any atom.
External Descriptors
Not available