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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O

InChI

InChI=1S/C16H25N3O3S/c1-2-3-8-12-14(21)17-16(18-15(12)22)23-11-13(20)19-9-6-4-5-7-10-19/h2-11H2,1H3,(H2,17,18,21,22)