Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC1=NC(=NC(C(O)=O)=C1N)C1=CC([O-])=CC=C1

InChIKey

InChIKey=GLABVRUUHIGNQY-UHFFFAOYSA-M

Formula

C21H26N5O5

Mass

428.47

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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

Piperidinecarboxylic acid - Pyrimidine-6-carboxylic acid - Aminopyrimidine - Phenoxide - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Piperidine - Benzenoid - Imidolactam - Heteroaromatic compound - Carbamic acid ester - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Amino acid - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary amine - Carbonyl group - Organic oxygen compound - Organic anion - 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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