4-[3-(4-ethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylpropoxy]benzoate

Systemtic Name: 4-[3-(4-ethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylpropoxy]benzoate Openeye Name: 4-[3-(4-ethyl-6-oxido-pyrimidin-2-yl)sulfanylpropoxy]benzoate CAS Name: 4-[3-[(4-ethyl-6-oxido-2-pyrimidinyl)thio]propoxy]benzoate IUPAC Name: 4-[3-(4-ethyl-6-oxidopyrimidin-2-yl)sulfanylpropoxy]benzoate Traditional Name: 4-[3-[(4-ethyl-6-oxido-pyrimidin-2-yl)thio]propoxy]benzoate Formula: C16H16N2O4S-2 MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCCCOC2=CC=C(C=C2)C(=O)[O-])[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCCCOC2=CC=C(C=C2)C(=O)[O-])[O-]

InChI

InChI=1S/C16H18N2O4S/c1-2-12-10-14(19)18-16(17-12)23-9-3-8-22-13-6-4-11(5-7-13)15(20)21/h4-7,10H,2-3,8-9H2,1H3,(H,20,21)(H,17,18,19)/p-2