[2-chloranyl-4-(4-fluorophenyl)-6-propan-2-yl-pyrimidin-5-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2-chloranyl-4-(4-fluorophenyl)-6-propan-2-yl-pyrimidin-5-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-chloro-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl]methyl-triphenyl-phosphonium bromide CAS Name: [2-chloro-4-(4-fluorophenyl)-6-propan-2-yl-5-pyrimidinyl]methyl-triphenylphosphonium bromide IUPAC Name: [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methyl-triphenylphosphanium bromide Traditional Name: [2-chloro-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl]methyl-triphenyl-phosphonium bromide Formula: C32H28BrClFN2P MolecularWeight: 605.907284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F)Cl.[Br-]

Isomeric SMILES

CC(C)C1=NC(=NC(=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F)Cl.[Br-]

InChI

InChI=1S/C32H28ClFN2P.BrH/c1-23(2)30-29(31(36-32(33)35-30)24-18-20-25(34)21-19-24)22-37(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;/h3-21,23H,22H2,1-2H3;1H/q+1;/p-1