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

Systemtic Name: 4-[3-(4-methyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylpropoxy]benzoate Openeye Name: 4-[3-(4-methyl-6-oxido-pyrimidin-2-yl)sulfanylpropoxy]benzoate CAS Name: 4-[3-[(4-methyl-6-oxido-2-pyrimidinyl)thio]propoxy]benzoate IUPAC Name: 4-[3-(4-methyl-6-oxidopyrimidin-2-yl)sulfanylpropoxy]benzoate Traditional Name: 4-[3-[(4-methyl-6-oxido-pyrimidin-2-yl)thio]propoxy]benzoate Formula: C15H14N2O4S-2 MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCOC2=CC=C(C=C2)C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCOC2=CC=C(C=C2)C(=O)[O-])[O-]

InChI

InChI=1S/C15H16N2O4S/c1-10-9-13(18)17-15(16-10)22-8-2-7-21-12-5-3-11(4-6-12)14(19)20/h3-6,9H,2,7-8H2,1H3,(H,19,20)(H,16,17,18)/p-2