Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)NC(=S)N[C@@H]1C1=CC=C(O1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=RILHCIACTVQLLZ-MRXNPFEDSA-N

Formula

C18H17N3O5S

Mass

387.41

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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 - Pyrimidinethione - Monocyclic benzene moiety - Benzenoid - Furan - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - Thiourea - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen 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

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