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

Systemtic Name: 5-[(4-oxidanidyl-6-propyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(4-oxido-6-propyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(4-oxido-6-propyl-2-pyrimidinyl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(4-oxido-6-propylpyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(4-oxido-6-propyl-pyrimidin-2-yl)thio]methyl]-2-thenoate Formula: C13H12N2O3S2-2 MolecularWeight: 308.37598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-]

InChI

InChI=1S/C13H14N2O3S2/c1-2-3-8-6-11(16)15-13(14-8)19-7-9-4-5-10(20-9)12(17)18/h4-6H,2-3,7H2,1H3,(H,17,18)(H,14,15,16)/p-2