1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]-2-(phenylthio)ethanone Formula: C25H27FN4OS MolecularWeight: 450.571483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CSC3=CC=CC=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CSC3=CC=CC=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H27FN4OS/c1-18-23(16-20-7-6-8-21(26)15-20)25(28-19(2)27-18)30-13-11-29(12-14-30)24(31)17-32-22-9-4-3-5-10-22/h3-10,15H,11-14,16-17H2,1-2H3