Compound Identification
SMILES
CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCN(CC1)C(=S)NC1=CC(F)=CC=C1
InChIKey
InChIKey=VSCKKJBGMZRABM-UHFFFAOYSA-N
Formula
C21H21FN6O3S
Mass
456.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
- Level 5 N-arylpiperazines
-
Subclass
Piperazines
-
Class
Diazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
N-arylpiperazines
Alternative Parents
Pyrido[2,3-d]pyrimidines N-phenylthioureas Pyridinecarboxylic acids Dialkylarylamines Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Thioureas Amino acids Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-arylpiperazine - N-phenylthiourea - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Benzenoid - Pyrimidine - Pyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Thiourea - Tertiary amine - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organofluoride - 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