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

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-pyrimidin-4-olate Formula: C18H19N4O4S- MolecularWeight: 387.43286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-4-5-12-9-15(23)20-18(19-12)27-10-16-21-17(22-26-16)11-6-7-13(24-2)14(8-11)25-3/h6-9H,4-5,10H2,1-3H3,(H,19,20,23)/p-1