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
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
- Level 5 Hydropyrimidines
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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
Hydropyrimidines
Direct Parent
Hydropyrimidine carboxylic acids and derivatives
Alternative Parents
Polyhalopyridines Bromobenzenes Fluorobenzenes Imidolactams Morpholines Aryl fluorides Aryl bromides Vinylogous amides Enoate esters Heteroaromatic compounds Methyl esters Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxamidines Enamines Dialkyl ethers Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides
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