Compound Identification
SMILES
Nc1nc(N)c2cc(CSC(=S)N3CCN(CC3)c3ccccc3[N+]([O-])=O)ccc2n1
InChIKey
InChIKey=WYGIWVHEHGQNJZ-UHFFFAOYSA-N
Formula
C20H21N7O2S2
Mass
455.56
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 Phenylpiperazines
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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
Phenylpiperazines
Alternative Parents
N-arylpiperazines Quinazolinamines Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Dithiocarbamic acid esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpiperazine - N-arylpiperazine - Quinazolinamine - Quinazoline - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Dithiocarbamic acid ester - Tertiary amine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Azacycle - Organic oxoazanium - Organic zwitterion - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors
Not available