Compound Identification
SMILES
COC(=O)C1=C(CSC2=NN=C(N)S2)NC(=O)N[C@@H]1C1=CC=CC=C1Cl
InChIKey
InChIKey=RQHZXQRQAJEOFW-LLVKDONJSA-N
Formula
C15H14ClN5O3S2
Mass
411.88
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
Pyrimidones 2-amino-5-substituted-1,3,4-thiadiazoles Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Enoate esters Ureas Amino acids and derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Aryl thioether - Pyrimidone - Halobenzene - Chlorobenzene - Alkylarylthioether - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous amide - Thiadiazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxylic acid ester - Urea - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - 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