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

Systemtic Name: 1-[4-[4-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoyl]piperazino]ethanone Formula: C24H31N5O3S MolecularWeight: 469.59964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C)N4CCOCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C)N4CCOCC4

InChI

InChI=1S/C24H31N5O3S/c1-3-21-16-22(28-12-14-32-15-13-28)26-24(25-21)33-17-19-4-6-20(7-5-19)23(31)29-10-8-27(9-11-29)18(2)30/h4-7,16H,3,8-15,17H2,1-2H3