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

Systemtic Name: 4-[[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide Openeye Name: 4-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-hexylbenzamide IUPAC Name: 4-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexylbenzamide Traditional Name: 4-[[[4-chloro-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-hexyl-benzamide Formula: C28H33ClFN5OS MolecularWeight: 542.110923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCCCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C28H33ClFN5OS/c1-2-3-4-7-14-31-27(36)22-12-10-21(11-13-22)20-37-28-32-25(29)19-26(33-28)35-17-15-34(16-18-35)24-9-6-5-8-23(24)30/h5-6,8-13,19H,2-4,7,14-18,20H2,1H3,(H,31,36)