Compound Identification
SMILES
COC(=O)C1=C(C)NC(=NC1C1=C(Cl)C=C(F)C=C1)C1=NC=CS1
InChIKey
InChIKey=QMZPEPRAOFNSQH-UHFFFAOYSA-N
Formula
C16H13ClFN3O2S
Mass
365.81
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 Aryl chlorides Aryl fluorides Imidolactams Vinylogous amides Thiazoles Enoate esters Methyl esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Enamines Monocarboxylic acids and derivatives Organochlorides Organofluorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Azole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Vinylogous amide - Thiazole - Heteroaromatic compound - Carboxylic acid ester - 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