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

Systemtic Name: N-butan-2-yl-3-[[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[4-chloro-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butan-2-yl-3-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 3-[[[4-chloro-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-sec-butyl-benzamide Formula: C26H29ClFN5OS MolecularWeight: 514.057763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClFN5OS/c1-3-18(2)29-25(34)20-8-6-7-19(15-20)17-35-26-30-23(27)16-24(31-26)33-13-11-32(12-14-33)22-10-5-4-9-21(22)28/h4-10,15-16,18H,3,11-14,17H2,1-2H3,(H,29,34)