Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(CN2C(=S)S\C(=C\C3=C(N4CCN(CC5=CC=CC=C5)CC4)N(C)C(=O)C(C#N)=C3C)C2=O)C=C1

InChIKey

InChIKey=XBWHSNWAKCODTB-WPWMEQJKSA-N

Formula

C31H31N5O3S2

Mass

585.74

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Not available

Direct Parent

Pyridinylpiperazines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyridinylpiperazine - N-arylpiperazine - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Dialkylarylamine - 3-pyridinecarbonitrile - Methoxybenzene - Dihydropyridine - Aminopyridine - Pyridinone - Methylpyridine - Aralkylamine - N-alkylpiperazine - Alkyl aryl ether - Hydropyridine - Monocyclic benzene moiety - Pyridine - Thiazolidinethione - Benzenoid - Heteroaromatic compound - Dithiocarbamic acid ester - Cyclic dithiocarbamic acid ester - Thiazolidine - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Lactam - Azacycle - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organosulfur compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.

External Descriptors

Not available

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