Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidones

Direct Parent

Thiobarbituric acid derivatives

Alternative Parents

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

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