(2R)-2-(4-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-(4-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(p-tolylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[(4-methylphenyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(4-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-(p-tolylthio)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4OS/c1-14-4-6-16(7-5-14)24-15(2)17(23)21-10-12-22(13-11-21)18-19-8-3-9-20-18/h3-9,15H,10-13H2,1-2H3/t15-/m1/s1