5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]-2-[(4-fluorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C20H24FN3O2S MolecularWeight: 389.486863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H24FN3O2S/c1-14-17(12-18(25)24-10-4-2-3-5-11-24)19(26)23-20(22-14)27-13-15-6-8-16(21)9-7-15/h6-9H,2-5,10-13H2,1H3,(H,22,23,26)