Compound Identification
SMILES
BrC1=C(OCC(=O)N2CCOCC2)C=CC(C=C2C(=O)NC(=S)N(CC=C)C2=O)=C1
InChIKey
InChIKey=CFHLUVACGKBCCX-UHFFFAOYSA-N
Formula
C20H20BrN3O5S
Mass
494.36
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Aryl bromides Diazinanes Morpholines Tertiary carboxylic acid amides Thioureas Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Organobromides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiobarbiturate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazinane - 1,3-diazinane - Morpholine - Tertiary carboxylic acid amide - Carboxamide group - Thiourea - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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