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

Systemtic Name: 2-[[3-[(4-fluoranylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-pyrimidin-4-olate Formula: C17H16FN4O3S- MolecularWeight: 375.397343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=NC(=NO2)COC3=CC=C(C=C3)F)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=NC(=NO2)COC3=CC=C(C=C3)F)[O-]

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)/p-1