Compound Identification
SMILES
COC1=CC=C(NC(=O)C(=C\N2C(=O)CC(=O)NC2=S)\C(C)=O)C=C1
InChIKey
InChIKey=LQKYDKVGBCKJFK-XYOKQWHBSA-N
Formula
C16H15N3O5S
Mass
361.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
-
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 Methoxyanilines Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Fatty amides Diazinanes 1,3-dicarbonyl compounds Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Secondary carboxylic acid amides Ketones Thioureas Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiobarbiturate - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - 1,3-diazinane - Fatty amide - 1,3-dicarbonyl compound - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Fatty acyl - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Carboxamide group - Secondary carboxylic acid amide - Thiourea - Ketone - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - 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