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

Systemtic Name: 3-[[4-(4-ethanoylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide Openeye Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide CAS Name: 3-[[[4-(4-acetyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-ethyl-N-methylbenzamide IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methylbenzamide Traditional Name: 3-[[[4-(4-acetylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-N-methyl-benzamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O2S/c1-4-30(3)26(34)23-12-8-9-21(17-23)19-35-27-28-24(22-10-6-5-7-11-22)18-25(29-27)32-15-13-31(14-16-32)20(2)33/h5-12,17-18H,4,13-16,19H2,1-3H3