3-[[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Openeye Name: 3-[[4-chloro-6-[4-(o-tolyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide CAS Name: 3-[[[4-chloro-6-[4-(2-methylphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(4-fluorophenyl)benzamide IUPAC Name: 3-[[4-chloro-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Traditional Name: 3-[[[4-chloro-6-[4-(o-tolyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-(4-fluorophenyl)benzamide Formula: C29H27ClFN5OS MolecularWeight: 548.073983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)F)Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)F)Cl

InChI

InChI=1S/C29H27ClFN5OS/c1-20-5-2-3-8-25(20)35-13-15-36(16-14-35)27-18-26(30)33-29(34-27)38-19-21-6-4-7-22(17-21)28(37)32-24-11-9-23(31)10-12-24/h2-12,17-18H,13-16,19H2,1H3,(H,32,37)