Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCC1=C(C2N(CCCN(C)CC3=CC=CC=C3)C(=S)NC(C)=C2C(=O)OC(C)C)C(OC)=CC=C1

InChIKey

InChIKey=MIISDAQTHJJSFL-UHFFFAOYSA-N

Formula

C42H65N3O3S

Mass

692.06

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Hydropyrimidines

Direct Parent

Hydropyrimidine carboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Hydropyrimidine carboxylic acid derivative - Anisole - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous amide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.

External Descriptors

Not available

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