Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(CN2C(=O)C(CN3CCCCC3)C(=O)N(SC3=CC=CC=C3)C2=O)C=C1

InChIKey

InChIKey=LPDFYEDPEVUPPX-UHFFFAOYSA-N

Formula

C25H29N3O3S

Mass

451.59

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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 heteromonocyclic compounds

Substituents

Barbiturate - M-xylene - Xylene - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - 1,3-dicarbonyl compound - Piperidine - Dicarboximide - Amino acid or derivatives - Carbonic acid derivative - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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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