[6-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-2-propan-2-yl-pyrimidin-4-yl] methanesulfonate

Systemtic Name: [6-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-2-propan-2-yl-pyrimidin-4-yl] methanesulfonate Openeye Name: [6-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-2-isopropyl-pyrimidin-4-yl] methanesulfonate CAS Name: methanesulfonic acid [6-[ethoxy-(propylthio)phosphinothioyl]oxy-2-propan-2-yl-4-pyrimidinyl] ester IUPAC Name: [6-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-2-propan-2-ylpyrimidin-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [6-[ethoxy-(propylthio)thiophosphoryl]oxy-2-isopropyl-pyrimidin-4-yl] ester Formula: C13H23N2O5PS3 MolecularWeight: 414.500881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=S)(OCC)OC1=CC(=NC(=N1)C(C)C)OS(=O)(=O)C

Isomeric SMILES

CCCSP(=S)(OCC)OC1=CC(=NC(=N1)C(C)C)OS(=O)(=O)C

InChI

InChI=1S/C13H23N2O5PS3/c1-6-8-23-21(22,18-7-2)19-11-9-12(20-24(5,16)17)15-13(14-11)10(3)4/h9-10H,6-8H2,1-5H3