2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

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