Structure Information
Structure

Compound Identification

SMILES

CO[N+](=O)C1=C(N=C(NC2=CC=CC=C2Cl)N=C1\N=C(/N)\C=C(/N)C1CC1)C(=O)NCCN1CCOCC1

InChIKey

InChIKey=JAODTKDNGYPEKE-UHFFFAOYSA-O

Formula

C24H31ClN9O4

Mass

545.02

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrimidinecarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Chlorobenzene - Oxazinane - Morpholine - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Alkyl nitrite - Organic nitro compound - Carboxamide group - Tertiary aliphatic amine - Amidine - Oxacycle - Carboxylic acid amidine - Azacycle - Carboxylic acid derivative - N-organohydroxylamine - Dialkyl ether - Enamine - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Primary aliphatic amine - Primary amine - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).

External Descriptors

Not available

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