[6-[methoxy(propoxy)phosphinothioyl]oxy-2-propan-2-yl-pyrimidin-4-yl] ethanesulfonate

Systemtic Name: [6-[methoxy(propoxy)phosphinothioyl]oxy-2-propan-2-yl-pyrimidin-4-yl] ethanesulfonate Openeye Name: [2-isopropyl-6-[methoxy(propoxy)phosphinothioyl]oxy-pyrimidin-4-yl] ethanesulfonate CAS Name: ethanesulfonic acid [6-[methoxy(propoxy)phosphinothioyl]oxy-2-propan-2-yl-4-pyrimidinyl] ester IUPAC Name: [6-[methoxy(propoxy)phosphinothioyl]oxy-2-propan-2-ylpyrimidin-4-yl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-isopropyl-6-[methoxy(propoxy)thiophosphoryl]oxy-pyrimidin-4-yl] ester Formula: C13H23N2O6PS2 MolecularWeight: 398.435281

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=S)(OC)OC1=CC(=NC(=N1)C(C)C)OS(=O)(=O)CC

Isomeric SMILES

CCCOP(=S)(OC)OC1=CC(=NC(=N1)C(C)C)OS(=O)(=O)CC

InChI

InChI=1S/C13H23N2O6PS2/c1-6-8-19-22(23,18-5)20-11-9-12(21-24(16,17)7-2)15-13(14-11)10(3)4/h9-10H,6-8H2,1-5H3