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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-2-one IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-2-one Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-2-one Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1)SCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC(=NC(=O)N1)SCC(=O)N2CCCCCC2

InChI

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