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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-ethyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-ethyl-1H-pyrimidin-4-one Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC(=O)N2CCCCCC2

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC(=O)N2CCCCCC2

InChI

InChI=1S/C14H21N3O2S/c1-2-11-9-12(18)16-14(15-11)20-10-13(19)17-7-5-3-4-6-8-17/h9H,2-8,10H2,1H3,(H,15,16,18)