Structure Information
Structure

Compound Identification

SMILES

O=C(NC1=C(C#N)C2=C(CCCC2)S1)C(=CC1C(=O)NC(=O)NC1=O)C#N

InChIKey

InChIKey=GSMUPMROGVOEJI-UHFFFAOYSA-N

Formula

C17H13N5O4S

Mass

383.38

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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

Barbituric acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Barbiturate - N-arylamide - Ureide - N-acyl urea - 1,3-dicarbonyl compound - 1,3-diazinane - Heteroaromatic compound - Thiophene - Dicarboximide - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.

External Descriptors

Not available

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