Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)[C@H](C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C2=C(NC(=S)NC2=O)O1

InChIKey

InChIKey=LRDTVFYYPKSERZ-VIFPVBQESA-N

Formula

C14H8ClN5O4S

Mass

377.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyranopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyranopyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyranopyrimidine - Pyranopyridine - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Pyrimidinethione - 2-thiopyrimidine - Halobenzene - Chlorobenzene - Thiopyrimidine - Benzenoid - Aryl chloride - Aryl halide - Pyrimidine - Pyridine - Monocyclic benzene moiety - Vinylogous ester - Heteroaromatic compound - Vinylogous amide - Ketene acetal or derivatives - Lactam - C-nitro compound - Organic nitro compound - Thiourea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Oxacycle - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic salt - Cyanide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyranopyrimidines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyrimidine ring.

External Descriptors

Not available

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