4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide

Systemtic Name: 4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: N-isobutyl-4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-(4-methyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 4-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: N-isobutyl-4-[[[4-(4-methylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C27H33N5OS MolecularWeight: 475.64882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5OS/c1-20(2)18-28-26(33)23-11-9-21(10-12-23)19-34-27-29-24(22-7-5-4-6-8-22)17-25(30-27)32-15-13-31(3)14-16-32/h4-12,17,20H,13-16,18-19H2,1-3H3,(H,28,33)