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

Systemtic Name: 4-[3-(4-tert-butyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylpropoxy]benzoate Openeye Name: 4-[3-(4-tert-butyl-6-oxido-pyrimidin-2-yl)sulfanylpropoxy]benzoate CAS Name: 4-[3-[(4-tert-butyl-6-oxido-2-pyrimidinyl)thio]propoxy]benzoate IUPAC Name: 4-[3-(4-tert-butyl-6-oxidopyrimidin-2-yl)sulfanylpropoxy]benzoate Traditional Name: 4-[3-[(4-tert-butyl-6-oxido-pyrimidin-2-yl)thio]propoxy]benzoate Formula: C18H20N2O4S-2 MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-18(2,3)14-11-15(21)20-17(19-14)25-10-4-9-24-13-7-5-12(6-8-13)16(22)23/h5-8,11H,4,9-10H2,1-3H3,(H,22,23)(H,19,20,21)/p-2