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

Systemtic Name: 6-propyl-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-propyl-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyrimidin-4-olate CAS Name: 6-propyl-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylthio]-4-pyrimidinolate IUPAC Name: 6-propyl-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-propyl-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylthio]pyrimidin-4-olate Formula: C19H21N4O5S- MolecularWeight: 417.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-5-6-12-9-15(24)21-19(20-12)29-10-16-22-23-18(28-16)11-7-13(25-2)17(27-4)14(8-11)26-3/h7-9H,5-6,10H2,1-4H3,(H,20,21,24)/p-1