Structure Information
Structure

Compound Identification

SMILES

OC(=O)CN1N=NC(=N1)C1=CN=C(S1)N1CCC2(CC1)OC1=CC=CC=C1C(=C2)C1=C(Cl)C=CC=C1Cl

InChIKey

InChIKey=ONLOFBWYZKZTPZ-UHFFFAOYSA-N

Formula

C25H20Cl2N6O3S

Mass

555.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Neoflavenes

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Neoflavene - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - 1,3-dichlorobenzene - Dialkylarylamine - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - 1,3-thiazol-2-amine - Benzenoid - Tetrazole - Thiazole - Heteroaromatic compound - Azole - Amino acid - Tertiary amine - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavenes. These are neoflavonoids with a structure based on a 4-phenylchromene skeleton.

External Descriptors

Not available

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