5-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-ethyl-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-ethyl-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C22H23FN4O3S MolecularWeight: 442.506423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H23FN4O3S/c1-2-15-13-20(25-22(24-15)31-14-16-7-8-19(30-16)21(28)29)27-11-9-26(10-12-27)18-6-4-3-5-17(18)23/h3-8,13H,2,9-12,14H2,1H3,(H,28,29)