Compound Identification
SMILES
O=C1NNC(=O)[C@]2(CSC3=C2C(=O)C2=C(C=CC=N2)C3=O)N1
InChIKey
InChIKey=WTDZQIBHGGRTSN-CYBMUJFWSA-N
Formula
C13H8N4O4S
Mass
316.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Quinolines and derivatives
- Subclass Quinoline quinones
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Class
Quinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinoline quinones
Intermediate Tree Nodes
Not available
Direct Parent
Quinoline quinones
Alternative Parents
Alpha amino acids and derivatives Aryl ketones Triazinones Vinylogous thioesters Pyridines and derivatives 1,2,4-triazines 1,2,4-triazinanes Semicarbazides Heteroaromatic compounds Dihydrothiophenes Thioenol ethers Carboxylic acid hydrazides Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline quinone - Alpha-amino acid or derivatives - Aryl ketone - Triazinone - 1,2,4-triazinane - Pyridine - Triazinane - Triazine - 1,2,4-triazine - Vinylogous thioester - 2,3-dihydrothiophene - Semicarbazide - Heteroaromatic compound - Ketone - Carboxylic acid hydrazide - Thioenolether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinoline quinones. These are quinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.
External Descriptors
Not available