Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)[C@@H](C2=CC=C(S2)[N+]([O-])=O)C2=C(O1)N=C([O-])NC2=O

InChIKey

InChIKey=GFFVEXLWZBLVSZ-ZETCQYMHSA-M

Formula

C12H6N5O5S

Mass

332.27

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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 - Nitrothiophene - 2-nitrothiophene - Nitroaromatic compound - Pyrimidone - 2,5-disubstituted thiophene - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous ester - Thiophene - C-nitro compound - Organic nitro compound - Lactam - Ketene acetal or derivatives - Oxacycle - Azacycle - Organic oxoazanium - Nitrile - Carbonitrile - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic cation - 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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