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

Systemtic Name: 3-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[[4-(4-benzylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide CAS Name: 3-[[[4-ethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-methylbenzamide Traditional Name: N-benzyl-3-[[[4-(4-benzylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-methyl-benzamide Formula: C33H37N5OS MolecularWeight: 551.74478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C33H37N5OS/c1-3-30-22-31(38-19-17-37(18-20-38)24-27-13-8-5-9-14-27)35-33(34-30)40-25-28-15-10-16-29(21-28)32(39)36(2)23-26-11-6-4-7-12-26/h4-16,21-22H,3,17-20,23-25H2,1-2H3