6-phenyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-phenyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-phenyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-phenyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-phenyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-phenyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-pyrimidin-4-one Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O5S/c1-28-16-9-14(10-17(29-2)20(16)30-3)21-25-19(31-26-21)12-32-22-23-15(11-18(27)24-22)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,23,24,27)