1-[4-[3-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[[4-ethyl-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[3-[[[4-ethyl-6-(2-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[[[4-ethyl-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]benzoyl]piperazino]ethanone Formula: C26H35N5O2S MolecularWeight: 481.6534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C)N4CCCCC4C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C)N4CCCCC4C

InChI

InChI=1S/C26H35N5O2S/c1-4-23-17-24(31-11-6-5-8-19(31)2)28-26(27-23)34-18-21-9-7-10-22(16-21)25(33)30-14-12-29(13-15-30)20(3)32/h7,9-10,16-17,19H,4-6,8,11-15,18H2,1-3H3