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

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]-2-(phenylthio)ethanone Formula: C25H27ClN4OS MolecularWeight: 467.02608

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4OS/c1-18-23(16-20-8-10-21(26)11-9-20)25(28-19(2)27-18)30-14-12-29(13-15-30)24(31)17-32-22-6-4-3-5-7-22/h3-11H,12-17H2,1-2H3