Compound Identification
SMILES
CC1=C(C)C=C(C(=C1)C1=CC=C(O1)C=C1C(=O)NC(=S)NC1=O)[N+]([O-])=O
InChIKey
InChIKey=YBHOFUJNMBOZPC-UHFFFAOYSA-N
Formula
C17H13N3O5S
Mass
371.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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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
Nitrobenzenes Nitrotoluenes o-Xylenes Nitroaromatic compounds Diazinanes Furans Heteroaromatic compounds Thioureas Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Thiobarbiturate - Nitrotoluene - Nitroaromatic compound - O-xylene - Xylene - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Furan - Heteroaromatic compound - C-nitro compound - Thiourea - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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