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

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-phenyl-1H-pyrimidin-4-one Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H18N4O4S/c1-27-16-9-8-14(10-17(16)28-2)20-24-19(29-25-20)12-30-21-22-15(11-18(26)23-21)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,23,26)