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

Systemtic Name: 1-(4-methylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylethanone Traditional Name: 2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]-1-(p-tolyl)ethanone Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS/c1-18-7-9-19(10-8-18)21(28)16-29-23-15-22(24-17-25-23)27-13-11-26(12-14-27)20-5-3-2-4-6-20/h2-10,15,17H,11-14,16H2,1H3