2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[4-(3-fluoro-4-methoxy-benzyl)piperazino]ethanone Formula: C20H25FN4O2S MolecularWeight: 404.501503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)C

InChI

InChI=1S/C20H25FN4O2S/c1-14-10-15(2)23-20(22-14)28-13-19(26)25-8-6-24(7-9-25)12-16-4-5-18(27-3)17(21)11-16/h4-5,10-11H,6-9,12-13H2,1-3H3