4-[[4-(4-methoxyphenyl)-6-oxidanidyl-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[4-(4-methoxyphenyl)-6-oxidanidyl-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-(4-methoxyphenyl)-6-oxido-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(4-methoxyphenyl)-6-oxido-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[[4-(4-methoxyphenyl)-6-oxidopyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(4-methoxyphenyl)-6-oxido-pyrimidin-2-yl]thio]methyl]benzoate Formula: C19H14N2O4S-2 MolecularWeight: 366.39046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C19H16N2O4S/c1-25-15-8-6-13(7-9-15)16-10-17(22)21-19(20-16)26-11-12-2-4-14(5-3-12)18(23)24/h2-10H,11H2,1H3,(H,23,24)(H,20,21,22)/p-2