2-[[4-(3-methoxyphenyl)-6-oxidanidyl-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 2-[[4-(3-methoxyphenyl)-6-oxidanidyl-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 2-[[4-(3-methoxyphenyl)-6-oxido-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[4-(3-methoxyphenyl)-6-oxido-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 2-[[4-(3-methoxyphenyl)-6-oxidopyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[4-(3-methoxyphenyl)-6-oxido-pyrimidin-2-yl]thio]methyl]benzoate Formula: C19H14N2O4S-2 MolecularWeight: 366.39046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC3=CC=CC=C3C(=O)[O-])[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC3=CC=CC=C3C(=O)[O-])[O-]

InChI

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