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

Systemtic Name: 2-[1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[[2-(methylthio)-5-pyrimidinyl]methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[1-(4-methoxy-2,3-dimethyl-benzyl)-4-[[2-(methylthio)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)CN2CCN(CC2CCO)CC3=CN=C(N=C3)SC

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)CN2CCN(CC2CCO)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C22H32N4O2S/c1-16-17(2)21(28-3)6-5-19(16)14-26-9-8-25(15-20(26)7-10-27)13-18-11-23-22(29-4)24-12-18/h5-6,11-12,20,27H,7-10,13-15H2,1-4H3