2-[[(2R)-oxan-2-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[[(2R)-oxan-2-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 6-propyl-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[[(2R)-2-oxanyl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[(2R)-oxan-2-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 6-propyl-2-[[(2R)-tetrahydropyran-2-yl]methylthio]pyrimidin-4-olate Formula: C13H19N2O2S- MolecularWeight: 267.36716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2CCCCO2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SC[C@H]2CCCCO2)[O-]

InChI

InChI=1S/C13H20N2O2S/c1-2-5-10-8-12(16)15-13(14-10)18-9-11-6-3-4-7-17-11/h8,11H,2-7,9H2,1H3,(H,14,15,16)/p-1/t11-/m1/s1