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

Systemtic Name: 3-[(4-methyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-methyl-6-oxido-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-methyl-6-oxido-2-pyrimidinyl)thio]methyl]benzoate IUPAC Name: 3-[(4-methyl-6-oxidopyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-methyl-6-oxido-pyrimidin-2-yl)thio]methyl]benzoate Formula: C13H10N2O3S-2 MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])[O-]

InChI

InChI=1S/C13H12N2O3S/c1-8-5-11(16)15-13(14-8)19-7-9-3-2-4-10(6-9)12(17)18/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16)/p-2