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

Systemtic Name: 3-[(4-oxidanidyl-6-propyl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-oxido-6-propyl-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-oxido-6-propyl-2-pyrimidinyl)thio]methyl]benzoate IUPAC Name: 3-[(4-oxido-6-propylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-oxido-6-propyl-pyrimidin-2-yl)thio]methyl]benzoate Formula: C15H14N2O3S-2 MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])[O-]

InChI

InChI=1S/C15H16N2O3S/c1-2-4-12-8-13(18)17-15(16-12)21-9-10-5-3-6-11(7-10)14(19)20/h3,5-8H,2,4,9H2,1H3,(H,19,20)(H,16,17,18)/p-2