N8-(phenylmethyl)-7H-purine-6,8-diamine bromide

Systemtic Name: N8-(phenylmethyl)-7H-purine-6,8-diamine bromide Openeye Name: N8-benzyl-7H-purine-6,8-diamine bromide CAS Name: N8-(phenylmethyl)-7H-purine-6,8-diamine bromide IUPAC Name: 8-N-benzyl-7H-purine-6,8-diamine bromide Traditional Name: (6-amino-7H-purin-8-yl)-benzyl-amine bromide Formula: C12H12BrN6- MolecularWeight: 320.16788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC3=C(N2)C(=NC=N3)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC3=C(N2)C(=NC=N3)N.[Br-]

InChI

InChI=1S/C12H12N6.BrH/c13-10-9-11(16-7-15-10)18-12(17-9)14-6-8-4-2-1-3-5-8;/h1-5,7H,6H2,(H4,13,14,15,16,17,18);1H/p-1