2-(4-methylphenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(p-tolylsulfanyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[(4-methylphenyl)thio]-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(p-tolylthio)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acetamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

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