4-methylsulfanyl-6-phenyl-6-(phenylmethyl)-7,8-dihydro-5H-phosphinino[4,3-d]pyrimidin-6-ium bromide

Systemtic Name: 4-methylsulfanyl-6-phenyl-6-(phenylmethyl)-7,8-dihydro-5H-phosphinino[4,3-d]pyrimidin-6-ium bromide Openeye Name: 6-benzyl-4-methylsulfanyl-6-phenyl-7,8-dihydro-5H-phosphinino[4,3-d]pyrimidin-6-ium bromide CAS Name: 4-(methylthio)-6-phenyl-6-(phenylmethyl)-7,8-dihydro-5H-phosphorino[4,3-d]pyrimidin-6-ium bromide IUPAC Name: 6-benzyl-4-methylsulfanyl-6-phenyl-7,8-dihydro-5H-phosphinino[4,3-d]pyrimidin-6-ium bromide Traditional Name: 6-benzyl-4-(methylthio)-6-phenyl-7,8-dihydro-5H-phosphorino[4,3-d]pyrimidin-6-ium bromide Formula: C21H22BrN2PS MolecularWeight: 445.355541

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1C[P+](CC2)(CC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CSC1=NC=NC2=C1C[P+](CC2)(CC3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H22N2PS.BrH/c1-25-21-19-15-24(18-10-6-3-7-11-18,13-12-20(19)22-16-23-21)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H/q+1;/p-1