[2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl-triphenyl-phosphonium bromide CAS Name: [2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl-triphenylphosphonium bromide IUPAC Name: [2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl-triphenylphosphanium bromide Traditional Name: [2-amino-4-keto-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl-triphenyl-phosphonium bromide Formula: C33H33BrN3OP MolecularWeight: 598.512381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C33H32N3OP.BrH/c34-33-35-31(30(32(37)36-33)24-14-13-17-26-15-5-1-6-16-26)25-38(27-18-7-2-8-19-27,28-20-9-3-10-21-28)29-22-11-4-12-23-29;/h1-12,15-16,18-23H,13-14,17,24-25H2,(H2-,34,35,36,37);1H