[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-pyrimidin-2-ylsulfanylpropanoate

Systemtic Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-pyrimidin-2-ylsulfanylpropanoate Openeye Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-pyrimidin-2-ylsulfanylpropanoate CAS Name: 2-(2-pyrimidinylthio)propanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-pyrimidin-2-ylsulfanylpropanoate Traditional Name: 2-(2-pyrimidylthio)propionic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C15H21N3O2S MolecularWeight: 307.41114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CC2CCC(C1)N2C)SC3=NC=CC=N3

Isomeric SMILES

CC(C(=O)OC1C[C@H]2CC[C@@H](C1)N2C)SC3=NC=CC=N3

InChI

InChI=1S/C15H21N3O2S/c1-10(21-15-16-6-3-7-17-15)14(19)20-13-8-11-4-5-12(9-13)18(11)2/h3,6-7,10-13H,4-5,8-9H2,1-2H3/t10?,11-,12+,13?