Compound Identification
SMILES
OCCSC1=C(C=C(C=C2C(=O)NC(=O)N(C2=O)C2=CC=CC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=KWBSXIBQYVAJRV-UHFFFAOYSA-N
Formula
C19H15N3O6S
Mass
413.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidones
- Level 6 Barbituric acid derivatives
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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
Barbituric acid derivatives
Alternative Parents
Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers N-acyl ureas Diazinanes Dicarboximides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - N-acyl urea - Ureide - Alkylarylthioether - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - C-nitro compound - Carbonic acid derivative - Urea - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Thioether - Organic 1,3-dipolar compound - Organic zwitterion - Carbonyl group - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
External Descriptors
Not available