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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
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Level 5
Pyrimidinecarboxylic acids and derivatives
- Level 6 Pyrimidinecarboxylic acids
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Level 5
Pyrimidinecarboxylic acids and derivatives
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
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
Piperidinecarboxylic acids Aminopyrimidines and derivatives Phenoxides Secondary alkylarylamines Imidolactams Heteroaromatic compounds Carbamate esters Vinylogous amides Tertiary amines Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines Organic anions
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