3-[2-[5-cyano-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[5-cyano-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[5-cyano-2-(2-furyl)-6-methyl-pyrimidin-4-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[5-cyano-2-(2-furanyl)-6-methyl-4-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[5-cyano-2-(furan-2-yl)-6-methylpyrimidin-4-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[5-cyano-2-(2-furyl)-6-methyl-pyrimidin-4-yl]thio]acetyl]amino]benzoic acid Formula: C19H14N4O4S MolecularWeight: 394.40386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SCC(=O)NC3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SCC(=O)NC3=CC=CC(=C3)C(=O)O)C#N

InChI

InChI=1S/C19H14N4O4S/c1-11-14(9-20)18(23-17(21-11)15-6-3-7-27-15)28-10-16(24)22-13-5-2-4-12(8-13)19(25)26/h2-8H,10H2,1H3,(H,22,24)(H,25,26)