2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-(o-tolyl)acetamide CAS Name: 2-[[6-[4-(4-fluorophenyl)-1-piperazinyl]-4-pyrimidinyl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[[6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]thio]-N-(o-tolyl)acetamide Formula: C23H24FN5OS MolecularWeight: 437.532963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN5OS/c1-17-4-2-3-5-20(17)27-22(30)15-31-23-14-21(25-16-26-23)29-12-10-28(11-13-29)19-8-6-18(24)7-9-19/h2-9,14,16H,10-13,15H2,1H3,(H,27,30)