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

Systemtic Name: (4-butylsulfanyl-2-methyl-6-oxidanylidene-1H-pyrimidin-5-yl)-triphenyl-phosphanium Openeye Name: (4-butylsulfanyl-2-methyl-6-oxo-1H-pyrimidin-5-yl)-triphenyl-phosphonium CAS Name: [4-(butylthio)-2-methyl-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: (4-butylsulfanyl-2-methyl-6-oxo-1H-pyrimidin-5-yl)-triphenylphosphanium Traditional Name: [4-(butylthio)-6-keto-2-methyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C27H28N2OPS+ MolecularWeight: 459.562781

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N2OPS/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/p+1