2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(3-methylbutyl)-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(3-methylbutyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-hydroxy-5-isopentyl-1H-pyrimidin-6-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-hydroxy-5-(3-methylbutyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-hydroxy-5-(3-methylbutyl)-1H-pyrimidin-6-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-hydroxy-5-isoamyl-1H-pyrimidin-6-one Formula: C17H27N3O3S MolecularWeight: 353.47958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O

Isomeric SMILES

CC(C)CCC1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O

InChI

InChI=1S/C17H27N3O3S/c1-12(2)7-8-13-15(22)18-17(19-16(13)23)24-11-14(21)20-9-5-3-4-6-10-20/h12H,3-11H2,1-2H3,(H2,18,19,22,23)