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

Systemtic Name: 4-[3-(4-oxidanidyl-6-propan-2-yl-pyrimidin-2-yl)sulfanylpropoxy]benzoate Openeye Name: 4-[3-(4-isopropyl-6-oxido-pyrimidin-2-yl)sulfanylpropoxy]benzoate CAS Name: 4-[3-[(4-oxido-6-propan-2-yl-2-pyrimidinyl)thio]propoxy]benzoate IUPAC Name: 4-[3-(4-oxido-6-propan-2-ylpyrimidin-2-yl)sulfanylpropoxy]benzoate Traditional Name: 4-[3-[(4-isopropyl-6-oxido-pyrimidin-2-yl)thio]propoxy]benzoate Formula: C17H18N2O4S-2 MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCCCOC2=CC=C(C=C2)C(=O)[O-])[O-]

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCCCOC2=CC=C(C=C2)C(=O)[O-])[O-]

InChI

InChI=1S/C17H20N2O4S/c1-11(2)14-10-15(20)19-17(18-14)24-9-3-8-23-13-6-4-12(5-7-13)16(21)22/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22)(H,18,19,20)/p-2