Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(CN2CCOCC2)NC(=N[C@H]1C1=C(Br)C=C(F)C=C1)C1=C(F)C=C(F)C=N1

InChIKey

InChIKey=VYVVGZZYVHLMPG-IBGZPJMESA-N

Formula

C22H20BrF3N4O3

Mass

525.326

Export to:

JSON SDF CSV

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 - Polyhalopyridine - Halobenzene - Fluorobenzene - Bromobenzene - Monocyclic benzene moiety - Oxazinane - Aryl bromide - Aryl fluoride - Imidolactam - Aryl halide - Pyridine - Benzenoid - Morpholine - Vinylogous amide - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Methyl ester - Enoate ester - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Amidine - Oxacycle - Azacycle - Carboxylic acid amidine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Dialkyl ether - Enamine - Ether - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Organofluoride - 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

Previous Back Next