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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-]

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-]

InChI

InChI=1S/C13H14N2O3S2/c1-7(2)9-5-11(16)15-13(14-9)19-6-8-3-4-10(20-8)12(17)18/h3-5,7H,6H2,1-2H3,(H,17,18)(H,14,15,16)/p-2