2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[2-(methylthio)-5-pyrimidinyl]methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[1-(3,5-dimethoxybenzyl)-4-[[2-(methylthio)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-27-19-8-16(9-20(10-19)28-2)14-25-6-5-24(15-18(25)4-7-26)13-17-11-22-21(29-3)23-12-17/h8-12,18,26H,4-7,13-15H2,1-3H3