2-[(4-methylphenyl)methylsulfanyl]-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-2-(p-tolylmethylsulfanyl)ethanone CAS Name: 2-[(4-methylphenyl)methylthio]-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-2-[(4-methylbenzyl)thio]ethanone Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C22H30N4OS/c1-16(2)22-23-18(4)13-20(24-22)25-9-11-26(12-10-25)21(27)15-28-14-19-7-5-17(3)6-8-19/h5-8,13,16H,9-12,14-15H2,1-4H3