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

Systemtic Name: 4-[[5-(2-hydroxyethyl)-4-methyl-6-oxidanidyl-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-(2-hydroxyethyl)-4-methyl-6-oxido-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-hydroxyethyl)-4-methyl-6-oxido-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[[5-(2-hydroxyethyl)-4-methyl-6-oxidopyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(2-hydroxyethyl)-4-methyl-6-oxido-pyrimidin-2-yl]thio]methyl]benzoate Formula: C15H14N2O4S-2 MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])[O-])CCO

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])[O-])CCO

InChI

InChI=1S/C15H16N2O4S/c1-9-12(6-7-18)13(19)17-15(16-9)22-8-10-2-4-11(5-3-10)14(20)21/h2-5,18H,6-8H2,1H3,(H,20,21)(H,16,17,19)/p-2