Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(N2C(=O)NC(=O)\C(=C\NCCCN3C=CN=C3)C2=O)C(C)=C1

InChIKey

InChIKey=NCMCHYVRMYKKBE-WJDWOHSUSA-N

Formula

C20H23N5O3

Mass

381.436

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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 - Ureide - N-acyl urea - Benzenoid - N-substituted imidazole - 1,3-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Imidazole - Dicarboximide - Azole - Urea - Carbonic acid derivative - Amino acid or derivatives - Allylamine - Azacycle - Secondary amine - Enamine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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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