Compound Identification
SMILES
Cl.COC(=O)CSC1=NC2=C(N(CC#CC)C(=N2)N2CCNCC2)C(=O)N1CC#N
InChIKey
InChIKey=NKPGKJOLJLEHIR-UHFFFAOYSA-N
Formula
C18H22ClN7O3S
Mass
451.93
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 N-arylpiperazines
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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
N-arylpiperazines
Alternative Parents
6-oxopurines Hypoxanthines Dialkylarylamines Pyrimidones Alkylarylthioethers N-substituted imidazoles Aminoimidazoles Methyl esters Heteroaromatic compounds Lactams Amino acids and derivatives Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-arylpiperazine - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Aryl thioether - Dialkylarylamine - Pyrimidone - Alkylarylthioether - Aminoimidazole - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Methyl ester - Azole - Imidazole - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Lactam - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrochloride - Organic oxygen compound - Cyanide - Organic nitrogen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors
Not available