Compound Identification
SMILES
[O-][N+](=O)C1=CC(Cl)=C(NC(=O)C(=O)C2C(=O)NC(=S)NC2=O)C(Cl)=C1
InChIKey
InChIKey=VKYZUTWNVKMMBR-UHFFFAOYSA-N
Formula
C12H6Cl2N4O6S
Mass
405.16
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
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Level 5
Pyrimidones
- Level 6 Thiobarbituric acid derivatives
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Level 5
Pyrimidones
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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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
Anilides Nitrobenzenes Dichlorobenzenes N-arylamides Nitroaromatic compounds 1,3-dicarbonyl compounds Aryl chlorides Diazinanes Ketones Secondary carboxylic acid amides Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organochlorides Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Thiobarbiturate - Anilide - Nitroaromatic compound - N-arylamide - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - 1,3-diazinane - C-nitro compound - Secondary carboxylic acid amide - Ketone - Carboxamide group - Organic nitro compound - Thiourea - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - 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