Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)[C@H](C2=CC(Br)=C(F)C=C2)C2=C(NC(=S)NC2=O)O1

InChIKey

InChIKey=NTMCEEHWDGXKBZ-VIFPVBQESA-N

Formula

C14H8BrFN4O2S

Mass

395.21

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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

Pyranopyridine - Pyranopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Bromobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Pyrimidinethione - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Thiourea - Ketene acetal or derivatives - Lactam - Azacycle - Oxacycle - Carbonitrile - Nitrile - Organosulfur compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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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