4-[3-[5-(2-hydroxyethyl)-4-methyl-6-oxidanidyl-pyrimidin-2-yl]sulfanylpropoxy]benzoate

Systemtic Name: 4-[3-[5-(2-hydroxyethyl)-4-methyl-6-oxidanidyl-pyrimidin-2-yl]sulfanylpropoxy]benzoate Openeye Name: 4-[3-[5-(2-hydroxyethyl)-4-methyl-6-oxido-pyrimidin-2-yl]sulfanylpropoxy]benzoate CAS Name: 4-[3-[[5-(2-hydroxyethyl)-4-methyl-6-oxido-2-pyrimidinyl]thio]propoxy]benzoate IUPAC Name: 4-[3-[5-(2-hydroxyethyl)-4-methyl-6-oxidopyrimidin-2-yl]sulfanylpropoxy]benzoate Traditional Name: 4-[3-[[5-(2-hydroxyethyl)-4-methyl-6-oxido-pyrimidin-2-yl]thio]propoxy]benzoate Formula: C17H18N2O5S-2 MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S/c1-11-14(7-8-20)15(21)19-17(18-11)25-10-2-9-24-13-5-3-12(4-6-13)16(22)23/h3-6,20H,2,7-10H2,1H3,(H,22,23)(H,18,19,21)/p-2