[2,4-bis(azanyl)pyrimidin-5-yl]methyl-triphenyl-phosphanium bromide hydrobromide

Systemtic Name: [2,4-bis(azanyl)pyrimidin-5-yl]methyl-triphenyl-phosphanium bromide hydrobromide Openeye Name: (2,4-diaminopyrimidin-5-yl)methyl-triphenyl-phosphonium bromide hydrobromide CAS Name: (2,4-diamino-5-pyrimidinyl)methyl-triphenylphosphonium bromide hydrobromide IUPAC Name: (2,4-diaminopyrimidin-5-yl)methyl-triphenylphosphanium bromide hydrobromide Traditional Name: (2,4-diaminopyrimidin-5-yl)methyl-triphenyl-phosphonium bromide hydrobromide Formula: C23H23Br2N4P MolecularWeight: 546.237281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CN=C(N=C2N)N)(C3=CC=CC=C3)C4=CC=CC=C4.Br.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CN=C(N=C2N)N)(C3=CC=CC=C3)C4=CC=CC=C4.Br.[Br-]

InChI

InChI=1S/C23H22N4P.2BrH/c24-22-18(16-26-23(25)27-22)17-28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;;/h1-16H,17H2,(H4,24,25,26,27);2*1H/q+1;;/p-1