5-[[4-tert-butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-furan-2-carboxamide

Systemtic Name: 5-[[4-tert-butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-furan-2-carboxamide Openeye Name: 5-[[4-tert-butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-furan-2-carboxamide CAS Name: 5-[[[4-tert-butyl-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-propan-2-yl-2-furancarboxamide IUPAC Name: 5-[[4-tert-butyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide Traditional Name: 5-[[[4-tert-butyl-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-isopropyl-2-furamide Formula: C27H34FN5O2S MolecularWeight: 511.654563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=C(O1)CSC2=NC(=CC(=N2)N3CCN(CC3)C4=CC=CC=C4F)C(C)(C)C

Isomeric SMILES

CC(C)NC(=O)C1=CC=C(O1)CSC2=NC(=CC(=N2)N3CCN(CC3)C4=CC=CC=C4F)C(C)(C)C

InChI

InChI=1S/C27H34FN5O2S/c1-18(2)29-25(34)22-11-10-19(35-22)17-36-26-30-23(27(3,4)5)16-24(31-26)33-14-12-32(13-15-33)21-9-7-6-8-20(21)28/h6-11,16,18H,12-15,17H2,1-5H3,(H,29,34)