1-(4-phenylpiperazin-1-yl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-phenylpiperazino)-2-[(6-piperidinopyrimidin-4-yl)thio]ethanone Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5OS/c27-21(26-13-11-24(12-14-26)18-7-3-1-4-8-18)16-28-20-15-19(22-17-23-20)25-9-5-2-6-10-25/h1,3-4,7-8,15,17H,2,5-6,9-14,16H2