2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylthio)-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylsulfanyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylthio)-6-methyl-1H-pyrimidin-4-one Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2COC3(O2)CCCCC3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2COC3(O2)CCCCC3

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)