(3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol

Systemtic Name: (3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol Openeye Name: (3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol CAS Name: (3R,4R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-(4-phenethyl-1-piperazinyl)-3-piperidinol IUPAC Name: (3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol Traditional Name: (3R,4R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]-4-(4-phenethylpiperazino)piperidin-3-ol Formula: C23H33N5OS MolecularWeight: 427.60602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN2CCC(C(C2)O)N3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC=C(C=N1)CN2CC[C@H]([C@@H](C2)O)N3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H33N5OS/c1-30-23-24-15-20(16-25-23)17-27-10-8-21(22(29)18-27)28-13-11-26(12-14-28)9-7-19-5-3-2-4-6-19/h2-6,15-16,21-22,29H,7-14,17-18H2,1H3/t21-,22-/m1/s1