N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-amine Traditional Name: homoveratryl-methyl-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-piperidyl]amine Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C22H32N4O2S/c1-25(11-9-17-7-8-20(27-2)21(12-17)28-3)19-6-5-10-26(16-19)15-18-13-23-22(29-4)24-14-18/h7-8,12-14,19H,5-6,9-11,15-16H2,1-4H3