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

Systemtic Name: 3-[[4-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[[4-(4-benzylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: 3-[[[4-methyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[4-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-benzyl-3-[[[4-(4-benzylpiperazino)-6-methyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C31H33N5OS MolecularWeight: 523.69162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H33N5OS/c1-24-19-29(36-17-15-35(16-18-36)22-26-11-6-3-7-12-26)34-31(33-24)38-23-27-13-8-14-28(20-27)30(37)32-21-25-9-4-2-5-10-25/h2-14,19-20H,15-18,21-23H2,1H3,(H,32,37)