[2-azaniumyl-9-(phenylmethyl)purin-6-yl]-methyl-azanium dichloride

Systemtic Name: [2-azaniumyl-9-(phenylmethyl)purin-6-yl]-methyl-azanium dichloride Openeye Name: (2-azaniumyl-9-benzyl-purin-6-yl)-methyl-ammonium dichloride CAS Name: [2-ammonio-9-(phenylmethyl)-6-purinyl]-methylammonium dichloride IUPAC Name: (2-azaniumyl-9-benzylpurin-6-yl)-methylazanium dichloride Traditional Name: (2-ammonio-9-benzyl-purin-6-yl)-methyl-ammonium dichloride Formula: C13H16Cl2N6 MolecularWeight: 327.21234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C13H14N6.2ClH/c1-15-11-10-12(18-13(14)17-11)19(8-16-10)7-9-5-3-2-4-6-9;;/h2-6,8H,7H2,1H3,(H3,14,15,17,18);2*1H