Structure Information
Structure

Compound Identification

SMILES

COC1=C2OCCCC2=C(F)C(=C1)C(NC1=CC=C(C=C1)C(N)=N)C1=NC(=O)N(N1)C1=C(SC=C1)C(O)=O

InChIKey

InChIKey=PGDHGWBLUOICKS-UHFFFAOYSA-N

Formula

C25H23FN6O5S

Mass

538.55

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Not available

Direct Parent

1-benzopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzopyran - Anisole - Phenol ether - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Vinylogous amide - 1,2,4-triazole - Thiophene - Amino acid - Amino acid or derivatives - Amidine - Oxacycle - Azacycle - Carboximidamide - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Ether - Secondary amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.

External Descriptors

Not available

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