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

Systemtic Name: 3-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-benzyl-N-methyl-benzamide CAS Name: 3-[[[4-(4-acetyl-1-piperazinyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-benzyl-N-methylbenzamide Traditional Name: 3-[[[4-(4-acetylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-benzyl-N-methyl-benzamide Formula: C28H33N5O2S MolecularWeight: 503.65892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O2S/c1-4-25-18-26(33-15-13-32(14-16-33)21(2)34)30-28(29-25)36-20-23-11-8-12-24(17-23)27(35)31(3)19-22-9-6-5-7-10-22/h5-12,17-18H,4,13-16,19-20H2,1-3H3