5-[(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(6-tert-butyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]-2-thenoic acid Formula: C14H16N2O3S2 MolecularWeight: 324.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)SCC2=CC=C(S2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)SCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C14H16N2O3S2/c1-14(2,3)10-6-11(17)16-13(15-10)20-7-8-4-5-9(21-8)12(18)19/h4-6H,7H2,1-3H3,(H,18,19)(H,15,16,17)