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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(2-methylpropyl)-6-oxidanyl-pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-hydroxy-1-isobutyl-pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-hydroxy-1-(2-methylpropyl)-4-pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-hydroxy-1-(2-methylpropyl)pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-hydroxy-1-isobutyl-pyrimidin-4-one Formula: C16H25N3O3S MolecularWeight: 339.453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CC(=O)N=C1SCC(=O)N2CCCCCC2)O

Isomeric SMILES

CC(C)CN1C(=CC(=O)N=C1SCC(=O)N2CCCCCC2)O

InChI

InChI=1S/C16H25N3O3S/c1-12(2)10-19-14(21)9-13(20)17-16(19)23-11-15(22)18-7-5-3-4-6-8-18/h9,12,21H,3-8,10-11H2,1-2H3