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

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-methyl-1H-pyrimidin-4-one Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C16H16N4O4S/c1-9-6-13(21)18-16(17-9)25-8-14-19-15(20-24-14)10-4-5-11(22-2)12(7-10)23-3/h4-7H,8H2,1-3H3,(H,17,18,21)