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

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]piperazino]-2-(phenylthio)ethanone Formula: C30H29ClN4OS MolecularWeight: 529.09546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CSC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CSC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H29ClN4OS/c1-22-27(20-23-12-14-25(31)15-13-23)30(33-29(32-22)24-8-4-2-5-9-24)35-18-16-34(17-19-35)28(36)21-37-26-10-6-3-7-11-26/h2-15H,16-21H2,1H3