Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(Br)=CC(=C1)C1C2=C(OC(N)=C1C#N)C1=C(C=C2)N(C)C=N1

InChIKey

InChIKey=VDQIPHZGVJIVPD-UHFFFAOYSA-N

Formula

C20H17BrN4O3

Mass

441.285

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Neoflavonoid skeleton - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Benzimidazole - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Bromobenzene - Halobenzene - Alkyl aryl ether - N-substituted imidazole - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Ketene acetal or derivatives - Organoheterocyclic compound - Azacycle - Ether - Carbonitrile - Nitrile - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Cyanide - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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