Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(NC(NC#N)=N[C@H]2[C@H](O)C(C)(C)OC3=C2C=C(C=C3)C#N)C=C1

InChIKey

InChIKey=APPZRPVFEIBKLL-MOPGFXCFSA-N

Formula

C21H21N5O3

Mass

391.431

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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

2,2-dimethyl-1-benzopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2,2-dimethyl-1-benzopyran - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Guanidine - Secondary alcohol - Oxacycle - Carboximidamide - Nitrile - Carbonitrile - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.

External Descriptors

Not available

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