2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[[2-(methylthio)-5-pyrimidinyl]methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[1-(2-fluoro-4-methoxy-benzyl)-4-[[2-(methylthio)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol Formula: C20H27FN4O2S MolecularWeight: 406.517383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCN(CC2CCO)CC3=CN=C(N=C3)SC)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCN(CC2CCO)CC3=CN=C(N=C3)SC)F

InChI

InChI=1S/C20H27FN4O2S/c1-27-18-4-3-16(19(21)9-18)13-25-7-6-24(14-17(25)5-8-26)12-15-10-22-20(28-2)23-11-15/h3-4,9-11,17,26H,5-8,12-14H2,1-2H3