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

Systemtic Name: 5-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-[4-(2-fluorophenyl)-1-piperazinyl]-6-methyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-[4-(2-fluorophenyl)piperazino]-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H21FN4O3S/c1-14-12-19(24-21(23-14)30-13-15-6-7-18(29-15)20(27)28)26-10-8-25(9-11-26)17-5-3-2-4-16(17)22/h2-7,12H,8-11,13H2,1H3,(H,27,28)