2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylthio]-6-methyl-pyrimidin-4-olate Formula: C14H19N2O3S- MolecularWeight: 295.37726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2COC3(O2)CCCCC3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SC[C@@H]2COC3(O2)CCCCC3)[O-]

InChI

InChI=1S/C14H20N2O3S/c1-10-7-12(17)16-13(15-10)20-9-11-8-18-14(19-11)5-3-2-4-6-14/h7,11H,2-6,8-9H2,1H3,(H,15,16,17)/p-1/t11-/m0/s1