Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)N(C)C(=S)N[C@H]1C1=CC(=C(Cl)C=C1)[N+]([O-])=O

InChIKey

InChIKey=NXKITOKRMJDOAT-LBPRGKRZSA-N

Formula

C14H14ClN3O4S

Mass

355.79

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Hydropyrimidine carboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Chlorobenzene - Halobenzene - Pyrimidinethione - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Thiourea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Organic salt - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - 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

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