2-[6-oxidanidyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]ethanoate

Systemtic Name: 2-[6-oxidanidyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]ethanoate Openeye Name: 2-(2-benzylsulfanyl-6-oxido-pyrimidin-4-yl)acetate CAS Name: 2-[6-oxido-2-(phenylmethylthio)-4-pyrimidinyl]acetate IUPAC Name: 2-(2-benzylsulfanyl-6-oxidopyrimidin-4-yl)acetate Traditional Name: 2-[2-(benzylthio)-6-oxido-pyrimidin-4-yl]acetate Formula: C13H10N2O3S-2 MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S/c16-11-6-10(7-12(17)18)14-13(15-11)19-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,17,18)(H,14,15,16)/p-2