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

Systemtic Name: 5-[(4-methyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(4-methyl-6-oxido-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(4-methyl-6-oxido-2-pyrimidinyl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(4-methyl-6-oxidopyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(4-methyl-6-oxido-pyrimidin-2-yl)thio]methyl]-2-thenoate Formula: C11H8N2O3S2-2 MolecularWeight: 280.32282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O3S2/c1-6-4-9(14)13-11(12-6)17-5-7-2-3-8(18-7)10(15)16/h2-4H,5H2,1H3,(H,15,16)(H,12,13,14)/p-2