methyl 4-[(5-iodanyl-2-oxidanylidene-pyrimidin-1-yl)methylsulfanyl]benzoate

Systemtic Name: methyl 4-[(5-iodanyl-2-oxidanylidene-pyrimidin-1-yl)methylsulfanyl]benzoate Openeye Name: methyl 4-[(5-iodo-2-oxo-pyrimidin-1-yl)methylsulfanyl]benzoate CAS Name: 4-[(5-iodo-2-oxo-1-pyrimidinyl)methylthio]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-iodo-2-oxopyrimidin-1-yl)methylsulfanyl]benzoate Traditional Name: 4-[(5-iodo-2-keto-pyrimidin-1-yl)methylthio]benzoic acid methyl ester Formula: C13H11IN2O3S MolecularWeight: 402.20751

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SCN2C=C(C=NC2=O)I

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SCN2C=C(C=NC2=O)I

InChI

InChI=1S/C13H11IN2O3S/c1-19-12(17)9-2-4-11(5-3-9)20-8-16-7-10(14)6-15-13(16)18/h2-7H,8H2,1H3