Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(SCCN2CCOCC2)N(C(=S)N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=ZNWNXXSUGUQELY-UHFFFAOYSA-N

Formula

C25H27N3O4S2

Mass

497.63

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidinecarboxylic acids and derivatives

Direct Parent

Pyrimidinecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - Aryl thioether - Pyrimidinethione - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Hydropyrimidine - Morpholine - Oxazinane - Benzenoid - Vinylogous thioester - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Sulfenyl compound - Thioether - Oxacycle - Azacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Amine - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.

External Descriptors

Not available

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