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

Systemtic Name: 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-pyrimidin-4-olate Formula: C17H17N4O3S- MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S/c1-3-5-12-9-14(22)19-17(18-12)25-10-15-20-16(21-24-15)11-6-4-7-13(8-11)23-2/h4,6-9H,3,5,10H2,1-2H3,(H,18,19,22)/p-1