[4-(6-azanyl-7H-purin-8-yl)phenyl]methyl-triphenyl-phosphanium bromide hydrobromide

Systemtic Name: [4-(6-azanyl-7H-purin-8-yl)phenyl]methyl-triphenyl-phosphanium bromide hydrobromide Openeye Name: [4-(6-amino-7H-purin-8-yl)phenyl]methyl-triphenyl-phosphonium bromide hydrobromide CAS Name: [4-(6-amino-7H-purin-8-yl)phenyl]methyl-triphenylphosphonium bromide hydrobromide IUPAC Name: [4-(6-amino-7H-purin-8-yl)phenyl]methyl-triphenylphosphanium bromide hydrobromide Traditional Name: [4-(6-amino-7H-purin-8-yl)benzyl]-triphenyl-phosphonium bromide hydrobromide Formula: C30H26Br2N5P MolecularWeight: 647.342701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C3=NC4=C(N3)C(=NC=N4)N)(C5=CC=CC=C5)C6=CC=CC=C6.Br.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C3=NC4=C(N3)C(=NC=N4)N)(C5=CC=CC=C5)C6=CC=CC=C6.Br.[Br-]

InChI

InChI=1S/C30H25N5P.2BrH/c31-28-27-30(33-21-32-28)35-29(34-27)23-18-16-22(17-19-23)20-36(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;;/h1-19,21H,20H2,(H3,31,32,33,34,35);2*1H/q+1;;/p-1