2-methylsulfanyl-4-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine

Systemtic Name: 2-methylsulfanyl-4-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine Openeye Name: 2-methylsulfanyl-4-[(3R)-3-[1-(3-pyridylmethyl)-4-piperidyl]pyrrolidin-1-yl]pyrimidine CAS Name: 2-(methylthio)-4-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidinyl]-1-pyrrolidinyl]pyrimidine IUPAC Name: 2-methylsulfanyl-4-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine Traditional Name: 2-(methylthio)-4-[(3R)-3-[1-(3-pyridylmethyl)-4-piperidyl]pyrrolidino]pyrimidine Formula: C20H27N5S MolecularWeight: 369.52688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)N2CCC(C2)C3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CSC1=NC=CC(=N1)N2CC[C@@H](C2)C3CCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C20H27N5S/c1-26-20-22-9-4-19(23-20)25-12-7-18(15-25)17-5-10-24(11-6-17)14-16-3-2-8-21-13-16/h2-4,8-9,13,17-18H,5-7,10-12,14-15H2,1H3/t18-/m0/s1