2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C13H18N3O2S- MolecularWeight: 280.36592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCCCCC2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCCCCC2)[O-]

InChI

InChI=1S/C13H19N3O2S/c1-10-8-11(17)15-13(14-10)19-9-12(18)16-6-4-2-3-5-7-16/h8H,2-7,9H2,1H3,(H,14,15,17)/p-1