Compound Identification
SMILES
COCCOC(=O)C1=C(C)N(C)C(=S)NC1C1=CC=C(NC(=O)C(C)(C)CCl)C=C1
InChIKey
InChIKey=JFBAWSSRQNNQGD-UHFFFAOYSA-N
Formula
C21H28ClN3O4S
Mass
453.98
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
Anilides N-arylamides Pyrimidinethiones 2-Thiopyrimidines Vinylogous amides Enoate esters Thioureas Secondary carboxylic acid amides Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Organochlorides Alkyl chlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Anilide - N-arylamide - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxamide group - Carboxylic acid ester - Thiourea - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl chloride - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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