Compound Identification
SMILES
CC(=NN1C(=O)CC(=O)NC1=S)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QDHGRPAYQUNJRF-UHFFFAOYSA-N
Formula
C12H10N4O4S
Mass
306.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidones
- Level 6 Thiobarbituric acid derivatives
-
Level 5
Pyrimidones
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidones
Direct Parent
Thiobarbituric acid derivatives
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Thiosemicarbazones Diazinanes 1,3-dicarbonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Thiobarbiturate - Nitroaromatic compound - Monocyclic benzene moiety - 1,3-diazinane - Thiosemicarbazone - 1,3-dicarbonyl compound - Benzenoid - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organic zwitterion - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiobarbituric acid derivatives. These are organic compounds containing a 2-thioxodihydropyrimidine-4,6(1H,5H)-dione skeleton.
External Descriptors
Not available