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

Systemtic Name: 3-[[4-(4-ethanoylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-benzyl-N-methyl-benzamide CAS Name: 3-[[[4-(4-acetyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-benzyl-N-methylbenzamide Traditional Name: 3-[[[4-(4-acetylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-benzyl-N-methyl-benzamide Formula: C32H33N5O2S MolecularWeight: 551.70172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)N(C)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)N(C)CC5=CC=CC=C5

InChI

InChI=1S/C32H33N5O2S/c1-24(38)36-16-18-37(19-17-36)30-21-29(27-13-7-4-8-14-27)33-32(34-30)40-23-26-12-9-15-28(20-26)31(39)35(2)22-25-10-5-3-6-11-25/h3-15,20-21H,16-19,22-23H2,1-2H3