(2-methyl-4-oxidanylidene-6-sulfanyl-1,3-diazinan-5-yl)-triphenyl-phosphanium

Systemtic Name: (2-methyl-4-oxidanylidene-6-sulfanyl-1,3-diazinan-5-yl)-triphenyl-phosphanium Openeye Name: (2-methyl-4-oxo-6-sulfanyl-hexahydropyrimidin-5-yl)-triphenyl-phosphonium CAS Name: (4-mercapto-2-methyl-6-oxo-1,3-diazinan-5-yl)-triphenylphosphonium IUPAC Name: (2-methyl-4-oxo-6-sulfanyl-1,3-diazinan-5-yl)-triphenylphosphanium Traditional Name: (4-keto-6-mercapto-2-methyl-hexahydropyrimidin-5-yl)-triphenyl-phosphonium Formula: C23H24N2OPS+ MolecularWeight: 407.488221

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC(C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S

Isomeric SMILES

CC1NC(C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S

InChI

InChI=1S/C23H23N2OPS/c1-17-24-22(26)21(23(28)25-17)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21,23,25H,1H3,(H-,24,26,28)/p+1