Compound Identification
SMILES
[Al]#P.CN1C=NC(=C1SC1=NC(N)=NC2=C1NC=N2)[N+]([O-])=O.CCOP(=S)(OCC)SCN1N=NC2=CC=CC=C2C1=O
InChIKey
InChIKey=CADNOMNXTMXCHV-UHFFFAOYSA-N
Formula
C21H24AlN11O5P2S3
Mass
695.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzo-1,2,3-triazines
- Subclass Benzotriazine organothiophosphates
-
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
Diarylthioethers 6-thiopurines Nitroaromatic compounds Nitroimidazoles Triazinones Aminopyrimidines and derivatives 1,2,3-triazines Benzenoids Dithiophosphate O-esters Dithiophosphate S-esters Imidolactams N-substituted imidazoles Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organothiophosphorus compounds Organic oxoazanium compounds Primary amines Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic salts Organic cations
Molecular Framework
Not available
Substituents
Benzotriazine organothiophosphate - Diarylthioether - 6-thiopurine - Purine - Imidazopyrimidine - Nitroimidazole - Aryl thioether - Nitroaromatic compound - Triazinone - Aminopyrimidine - N-substituted imidazole - Dithiophosphate o-ester - Benzenoid - Pyrimidine - Triazine - 1,2,3-triazine - Imidolactam - Dithiophosphate s-ester - Azole - Imidazole - Heteroaromatic compound - Organic dithiophosphate - Organic nitro compound - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Azacycle - Organic 1,3-dipolar compound - Organothiophosphorus compound - Organic oxoazanium - Amine - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Primary amine - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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