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

Systemtic Name: 5-[[5-(2-hydroxyethyl)-4-methyl-6-oxidanidyl-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[[5-(2-hydroxyethyl)-4-methyl-6-oxido-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[[5-(2-hydroxyethyl)-4-methyl-6-oxido-2-pyrimidinyl]thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[[5-(2-hydroxyethyl)-4-methyl-6-oxidopyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[[5-(2-hydroxyethyl)-4-methyl-6-oxido-pyrimidin-2-yl]thio]methyl]-2-thenoate Formula: C13H12N2O4S2-2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-])CCO

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-])CCO

InChI

InChI=1S/C13H14N2O4S2/c1-7-9(4-5-16)11(17)15-13(14-7)20-6-8-2-3-10(21-8)12(18)19/h2-3,16H,4-6H2,1H3,(H,18,19)(H,14,15,17)/p-2