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

Systemtic Name: 1-[4-[4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzoyl]piperazino]ethanone Formula: C24H31N5O2S MolecularWeight: 453.60024

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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)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C)N4CCCC4

InChI

InChI=1S/C24H31N5O2S/c1-3-21-16-22(28-10-4-5-11-28)26-24(25-21)32-17-19-6-8-20(9-7-19)23(31)29-14-12-27(13-15-29)18(2)30/h6-9,16H,3-5,10-15,17H2,1-2H3