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

Systemtic Name: 5-[(4,5-dimethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(4,5-dimethyl-6-oxido-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(4,5-dimethyl-6-oxido-2-pyrimidinyl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(4,5-dimethyl-6-oxidopyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(4,5-dimethyl-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:

CC1=C(N=C(N=C1[O-])SCC2=CC=C(S2)C(=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC2=CC=C(S2)C(=O)[O-])C

InChI

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