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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-[(4-methoxyphenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-hydroxy-5-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-hydroxy-5-p-anisyl-1H-pyrimidin-6-one Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)N3CCCCCC3)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)N3CCCCCC3)O

InChI

InChI=1S/C20H25N3O4S/c1-27-15-8-6-14(7-9-15)12-16-18(25)21-20(22-19(16)26)28-13-17(24)23-10-4-2-3-5-11-23/h6-9H,2-5,10-13H2,1H3,(H2,21,22,25,26)