Compound Identification
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C1=NC2=NC=C(Br)C(N3CCN(CC(=O)NC4=NC=CS4)CC3)=C2N1
InChIKey
InChIKey=OGGDUTGJKDKKHK-UHFFFAOYSA-N
Formula
C27H31BrN8O3S
Mass
627.56
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 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
Alpha amino acid amides N-arylpiperazines Phenylimidazoles N-piperazineacetamides Imidazopyridines Dialkylarylamines N-arylamides Aminopyridines and derivatives N-alkylpiperazines Aryl bromides Benzene and substituted derivatives Thiazoles Carbamate esters Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - Pyridinylpiperazine - N-arylpiperazine - 2-phenylimidazole - Alpha-amino acid or derivatives - N-piperazineacetamide - Imidazopyridine - Dialkylarylamine - N-arylamide - Aminopyridine - N-alkylpiperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Carbamic acid ester - Thiazole - Heteroaromatic compound - Azole - Imidazole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic oxide - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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