ethyl (2-propan-2-yl-1-propan-2-ylsulfanyl-pyrimidin-1-ium-5-yl) hydrogen phosphate

Systemtic Name: ethyl (2-propan-2-yl-1-propan-2-ylsulfanyl-pyrimidin-1-ium-5-yl) hydrogen phosphate Openeye Name: ethyl (2-isopropyl-1-isopropylsulfanyl-pyrimidin-1-ium-5-yl) hydrogen phosphate CAS Name: ethyl [2-propan-2-yl-1-(propan-2-ylthio)-5-pyrimidin-1-iumyl] hydrogen phosphate IUPAC Name: ethyl (2-propan-2-yl-1-propan-2-ylsulfanylpyrimidin-1-ium-5-yl) hydrogen phosphate Traditional Name: ethyl [2-isopropyl-1-(isopropylthio)pyrimidin-1-ium-5-yl] hydrogen phosphate Formula: C12H22N2O4PS+ MolecularWeight: 321.352841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(O)OC1=CN=C([N+](=C1)SC(C)C)C(C)C

Isomeric SMILES

CCOP(=O)(O)OC1=CN=C([N+](=C1)SC(C)C)C(C)C

InChI

InChI=1S/C12H21N2O4PS/c1-6-17-19(15,16)18-11-7-13-12(9(2)3)14(8-11)20-10(4)5/h7-10H,6H2,1-5H3/p+1