Compound Identification
SMILES
CCCOP(=S)(OCCC)SCC(=O)OC(N1C=NC=N1)C(=O)C(C)(C)C
InChIKey
InChIKey=HMPVDZFAUYNIPR-UHFFFAOYSA-N
Formula
C16H28N3O5PS2
Mass
437.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Alpha-acyloxy carbonyl compounds
- Level 6 Alpha-acyloxy ketones
-
Level 5
Alpha-acyloxy carbonyl compounds
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Alpha-acyloxy carbonyl compounds
Direct Parent
Alpha-acyloxy ketones
Alternative Parents
Dithiophosphate S-esters Dithiophosphate O-esters Triazoles Heteroaromatic compounds Ketones Carboxylic acid esters Sulfenyl compounds Organothiophosphorus compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-acyloxy ketone - Dithiophosphate o-ester - Dithiophosphate s-ester - Azole - Heteroaromatic compound - 1,2,4-triazole - Organic dithiophosphate - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organothiophosphorus compound - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-acyloxy ketones. These are ketones that have an acyloxy substituent alpha to the carbonyl group. They have the general structure R4C(=O)OC(R2)(R3)C(R1)=O (R1=organyl, R4=H or organyl; R2,R3 = any atom).
External Descriptors
Not available