(5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl-triphenyl-phosphonium bromide CAS Name: (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl-triphenylphosphonium bromide IUPAC Name: (5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl-triphenylphosphanium bromide Traditional Name: (5-carbethoxy-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl-triphenyl-phosphonium bromide Formula: C32H30BrN2O3P MolecularWeight: 601.469961

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C32H29N2O3P.BrH/c1-2-37-31(35)29-28(33-32(36)34-30(29)24-15-7-3-8-16-24)23-38(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27;/h3-22,30H,2,23H2,1H3,(H-,33,34,35,36);1H