Compound Identification
SMILES
COC(=O)C1=C(CN2CCCC2)NC(=NC1C1=C(Cl)C=C(F)C=C1)C1=C(F)C=CC=N1
InChIKey
InChIKey=NDIJNDMNRSSHNM-UHFFFAOYSA-N
Formula
C22H21ClF2N4O2
Mass
446.88
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
Chlorobenzenes Fluorobenzenes Pyridines and derivatives Imidolactams N-alkylpyrrolidines Aryl chlorides Aryl fluorides Vinylogous amides Enoate esters Heteroaromatic compounds Methyl esters Trialkylamines Amino acids and derivatives Azacyclic compounds Carboxamidines Carboximidamides Propargyl-type 1,3-dipolar organic compounds Enamines Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Pyridine - Aryl fluoride - N-alkylpyrrolidine - Benzenoid - Aryl halide - Imidolactam - Monocyclic benzene moiety - Enoate ester - Pyrrolidine - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Methyl ester - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Amidine - Azacycle - Carboxylic acid amidine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Carboximidamide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - 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