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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-butan-2-yl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-hydroxy-5-sec-butyl-1H-pyrimidin-6-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-butan-2-yl-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-butan-2-yl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-hydroxy-5-sec-butyl-1H-pyrimidin-6-one Formula: C16H25N3O3S MolecularWeight: 339.453

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O

Isomeric SMILES

CCC(C)C1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O

InChI

InChI=1S/C16H25N3O3S/c1-3-11(2)13-14(21)17-16(18-15(13)22)23-10-12(20)19-8-6-4-5-7-9-19/h11H,3-10H2,1-2H3,(H2,17,18,21,22)