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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazinanes
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Subclass
Piperazines
- Level 5 Pyridinylpiperazines
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Subclass
Piperazines
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Class
Diazinanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpiperazines
Alternative Parents
N-arylpiperazines Benzylamines Anisoles Dialkylarylamines Phenylmethylamines Phenoxy compounds 3-pyridinecarbonitriles Methoxybenzenes Aralkylamines Pyridinones Dihydropyridines Aminopyridines and derivatives Alkyl aryl ethers Methylpyridines N-alkylpiperazines Thiazolidinethiones Cyclic dithiocarbamic acid esters Heteroaromatic compounds Lactams Trialkylamines Amino acids and derivatives Nitriles Azacyclic compounds Hydrocarbon derivatives Organosulfur compounds Carbonyl compounds Organic oxides
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