2-[[3-[(4-fluoranylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[3-[(4-fluoranylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C17H17FN4O3S MolecularWeight: 376.405283

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NO2)COC3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NO2)COC3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN4O3S/c1-2-3-12-8-15(23)21-17(19-12)26-10-16-20-14(22-25-16)9-24-13-6-4-11(18)5-7-13/h4-8H,2-3,9-10H2,1H3,(H,19,21,23)