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

Systemtic Name: N-ethyl-3-[[4-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide CAS Name: N-ethyl-3-[[[4-methyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-ethylbenzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-benzamide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H31N5OS/c1-3-27-25(32)23-11-7-10-22(17-23)19-33-26-28-20(2)16-24(29-26)31-14-12-30(13-15-31)18-21-8-5-4-6-9-21/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,27,32)