2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-phenethyl-piperazin-2-yl]ethanol

Systemtic Name: 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-phenethyl-piperazin-2-yl]ethanol Openeye Name: 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-phenethyl-piperazin-2-yl]ethanol CAS Name: 2-[4-[[2-(methylthio)-5-pyrimidinyl]methyl]-1-phenethyl-2-piperazinyl]ethanol IUPAC Name: 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-phenethylpiperazin-2-yl]ethanol Traditional Name: 2-[4-[[2-(methylthio)pyrimidin-5-yl]methyl]-1-phenethyl-piperazin-2-yl]ethanol Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN2CCN(C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C(C=N1)CN2CCN(C(C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C20H28N4OS/c1-26-20-21-13-18(14-22-20)15-23-10-11-24(19(16-23)8-12-25)9-7-17-5-3-2-4-6-17/h2-6,13-14,19,25H,7-12,15-16H2,1H3