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

Systemtic Name: 3-[[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[(4-fluorophenyl)methyl]benzamide Openeye Name: 3-[[4-chloro-6-[4-(o-tolyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[(4-fluorophenyl)methyl]benzamide CAS Name: 3-[[[4-chloro-6-[4-(2-methylphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-[(4-fluorophenyl)methyl]benzamide IUPAC Name: 3-[[4-chloro-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[(4-fluorophenyl)methyl]benzamide Traditional Name: 3-[[[4-chloro-6-[4-(o-tolyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-(4-fluorobenzyl)benzamide Formula: C30H29ClFN5OS MolecularWeight: 562.100563

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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)NCC5=CC=C(C=C5)F)Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)Cl

InChI

InChI=1S/C30H29ClFN5OS/c1-21-5-2-3-8-26(21)36-13-15-37(16-14-36)28-18-27(31)34-30(35-28)39-20-23-6-4-7-24(17-23)29(38)33-19-22-9-11-25(32)12-10-22/h2-12,17-18H,13-16,19-20H2,1H3,(H,33,38)