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

Systemtic Name: 5-[(4-ethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(4-ethyl-6-oxido-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(4-ethyl-6-oxido-2-pyrimidinyl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(4-ethyl-6-oxidopyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(4-ethyl-6-oxido-pyrimidin-2-yl)thio]methyl]-2-thenoate Formula: C12H10N2O3S2-2 MolecularWeight: 294.3494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-]

InChI

InChI=1S/C12H12N2O3S2/c1-2-7-5-10(15)14-12(13-7)18-6-8-3-4-9(19-8)11(16)17/h3-5H,2,6H2,1H3,(H,16,17)(H,13,14,15)/p-2