methyl 2-(2-methylpropoxy)-5-[(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzoate

Systemtic Name: methyl 2-(2-methylpropoxy)-5-[(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzoate Openeye Name: methyl 5-[(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-isobutoxy-benzoate CAS Name: 5-[[4-hydroxy-2-(methylthio)-6-oxo-1H-pyrimidin-5-yl]methyl]-2-(2-methylpropoxy)benzoic acid methyl ester IUPAC Name: methyl 5-[(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)methyl]-2-(2-methylpropoxy)benzoate Traditional Name: 5-[[4-hydroxy-6-keto-2-(methylthio)-1H-pyrimidin-5-yl]methyl]-2-isobutoxy-benzoic acid methyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SC)O)C(=O)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SC)O)C(=O)OC

InChI

InChI=1S/C18H22N2O5S/c1-10(2)9-25-14-6-5-11(7-12(14)17(23)24-3)8-13-15(21)19-18(26-4)20-16(13)22/h5-7,10H,8-9H2,1-4H3,(H2,19,20,21,22)