Compound Identification
SMILES
CC(OC1=CC=CC=C1C)C(=O)NN1C(=O)CC(=O)N(C1=S)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=QBBNBCRPKDJUFD-UHFFFAOYSA-N
Formula
C20H18ClN3O4S
Mass
431.89
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
-
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
Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Toluenes Diazinanes Diacylhydrazines 1,3-dicarbonyl compounds Aryl chlorides Thiosemicarbazides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiobarbiturate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Toluene - Halobenzene - Diacylhydrazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - 1,3-dicarbonyl compound - Thiosemicarbazide - Carboxylic acid hydrazide - Ether - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - 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