methyl 2-[4-oxidanylidene-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c1-23-14(22)8-11-7-12(21)18-16(17-11)25-9-13-19-15(20-24-13)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,17,18,21)