(4-butylsulfanyl-2-methyl-6-oxidanylidene-1H-pyrimidin-5-yl)-triphenyl-phosphanium bromide

Systemtic Name: (4-butylsulfanyl-2-methyl-6-oxidanylidene-1H-pyrimidin-5-yl)-triphenyl-phosphanium bromide Openeye Name: (4-butylsulfanyl-2-methyl-6-oxo-1H-pyrimidin-5-yl)-triphenyl-phosphonium bromide CAS Name: [4-(butylthio)-2-methyl-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium bromide IUPAC Name: (4-butylsulfanyl-2-methyl-6-oxo-1H-pyrimidin-5-yl)-triphenylphosphanium bromide Traditional Name: [4-(butylthio)-6-keto-2-methyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium bromide Formula: C27H28BrN2OPS MolecularWeight: 539.466781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=O)NC(=N1)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCSC1=C(C(=O)NC(=N1)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H27N2OPS.BrH/c1-3-4-20-32-27-25(26(30)28-21(2)29-27)31(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24;/h5-19H,3-4,20H2,1-2H3;1H