2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-(4-methylpiperazino)pyrimidin-2-yl]thio]-1-phenyl-ethanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC=C2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC=C2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4OS/c1-20-9-11-21(12-10-20)16-7-8-18-17(19-16)23-13-15(22)14-5-3-2-4-6-14/h2-8H,9-13H2,1H3