(2R)-2-phenyl-2-phenylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: (2R)-2-phenyl-2-phenylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: (2R)-2-phenyl-2-phenylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: (2R)-2-phenyl-2-(phenylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: (2R)-2-phenyl-2-phenylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: (2R)-2-phenyl-2-(phenylthio)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@@H](C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c27-21(25-14-16-26(17-15-25)22-23-12-7-13-24-22)20(18-8-3-1-4-9-18)28-19-10-5-2-6-11-19/h1-13,20H,14-17H2/t20-/m1/s1