[[9-(phenylmethyl)-7H-purin-9-ium-6-yl]amino]azanium dichloride

Systemtic Name: [[9-(phenylmethyl)-7H-purin-9-ium-6-yl]amino]azanium dichloride Openeye Name: [(9-benzyl-7H-purin-9-ium-6-yl)amino]ammonium dichloride CAS Name: [[9-(phenylmethyl)-7H-purin-9-ium-6-yl]amino]ammonium dichloride IUPAC Name: [(9-benzyl-7H-purin-9-ium-6-yl)amino]azanium dichloride Traditional Name: [(9-benzyl-7H-purin-9-ium-6-yl)amino]ammonium dichloride Formula: C12H14Cl2N6 MolecularWeight: 313.18576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CNC3=C2N=CN=C3N[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CNC3=C2N=CN=C3N[NH3+].[Cl-].[Cl-]

InChI

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