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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])[O-]

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])[O-]

InChI

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