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

Systemtic Name: 5-[(4-butyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(4-butyl-6-oxido-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(4-butyl-6-oxido-2-pyrimidinyl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(4-butyl-6-oxidopyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(4-butyl-6-oxido-pyrimidin-2-yl)thio]methyl]-2-thenoate Formula: C14H14N2O3S2-2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-]

Isomeric SMILES

CCCCC1=CC(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-]

InChI

InChI=1S/C14H16N2O3S2/c1-2-3-4-9-7-12(17)16-14(15-9)20-8-10-5-6-11(21-10)13(18)19/h5-7H,2-4,8H2,1H3,(H,18,19)(H,15,16,17)/p-2