Structure Information
Structure

Compound Identification

SMILES

CCN1C(=S)N[C@H](C2=CC(N)=CC=C2)C(C(=O)OC(C)C)=C1C

InChIKey

InChIKey=MEXKVLHAJPKZAK-OAHLLOKOSA-N

Formula

C17H23N3O2S

Mass

333.45

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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 - Aniline or substituted anilines - 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Thiourea - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen 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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