2-phenylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide

Systemtic Name: 2-phenylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide Openeye Name: 2-phenylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide CAS Name: 2-(phenylthio)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]propanamide IUPAC Name: 2-phenylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide Traditional Name: 2-(phenylthio)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]propionamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CCN(CC1)C2=NC=CC=N2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCCN1CCN(CC1)C2=NC=CC=N2)SC3=CC=CC=C3

InChI

InChI=1S/C20H27N5OS/c1-17(27-18-7-3-2-4-8-18)19(26)21-11-6-12-24-13-15-25(16-14-24)20-22-9-5-10-23-20/h2-5,7-10,17H,6,11-16H2,1H3,(H,21,26)