Compound Identification
SMILES
COC1=CC([C@H]2CCCN2C(=O)CSC2=NC=C(C#N)C(N)=N2)=C(OC)C=C1
InChIKey
InChIKey=OQFFFMXRISATMY-OAHLLOKOSA-N
Formula
C19H21N5O3S
Mass
399.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Dimethoxybenzenes Phenoxy compounds N-acylpyrrolidines Anisoles Alkyl aryl ethers Alkylarylthioethers Aminopyrimidines and derivatives Imidolactams Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Amino acids and derivatives Sulfenyl compounds Nitriles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Aryl thioether - Anisole - N-acylpyrrolidine - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Azacycle - Thioether - Sulfenyl compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxide - Cyanide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Primary amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available