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

Systemtic Name: 5-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-[4-(2-fluorophenyl)-1-piperazinyl]-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-[4-(2-fluorophenyl)piperazino]-6-isopropyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H25FN4O3S/c1-15(2)18-13-21(26-23(25-18)32-14-16-7-8-20(31-16)22(29)30)28-11-9-27(10-12-28)19-6-4-3-5-17(19)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,29,30)