N-[(1-methylpiperidin-4-yl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-phenyl-ethanamine

Systemtic Name: N-[(1-methylpiperidin-4-yl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-phenyl-ethanamine Openeye Name: N-[(1-methyl-4-piperidyl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-phenyl-ethanamine CAS Name: N-[(1-methyl-4-piperidinyl)methyl]-N-[[2-(methylthio)-5-pyrimidinyl]methyl]-2-phenylethanamine IUPAC Name: N-[(1-methylpiperidin-4-yl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-phenylethanamine Traditional Name: (1-methyl-4-piperidyl)methyl-[[2-(methylthio)pyrimidin-5-yl]methyl]-phenethyl-amine Formula: C21H30N4S MolecularWeight: 370.5547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CN(CCC2=CC=CC=C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

CN1CCC(CC1)CN(CCC2=CC=CC=C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C21H30N4S/c1-24-11-8-19(9-12-24)16-25(13-10-18-6-4-3-5-7-18)17-20-14-22-21(26-2)23-15-20/h3-7,14-15,19H,8-13,16-17H2,1-2H3