2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxidanidyl-pyrimidin-4-yl]ethanoate

Systemtic Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxidanidyl-pyrimidin-4-yl]ethanoate Openeye Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxido-pyrimidin-4-yl]acetate CAS Name: 2-[2-[(3-methoxyphenyl)methylthio]-6-oxido-4-pyrimidinyl]acetate IUPAC Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxidopyrimidin-4-yl]acetate Traditional Name: 2-[2-(m-anisylthio)-6-oxido-pyrimidin-4-yl]acetate Formula: C14H12N2O4S-2 MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)[O-]

InChI

InChI=1S/C14H14N2O4S/c1-20-11-4-2-3-9(5-11)8-21-14-15-10(7-13(18)19)6-12(17)16-14/h2-6H,7-8H2,1H3,(H,18,19)(H,15,16,17)/p-2