[2-iodanyl-9-[(2-methoxyphenyl)methyl]purin-6-yl]-methyl-azanium chloride

Systemtic Name: [2-iodanyl-9-[(2-methoxyphenyl)methyl]purin-6-yl]-methyl-azanium chloride Openeye Name: [2-iodo-9-[(2-methoxyphenyl)methyl]purin-6-yl]-methyl-ammonium chloride CAS Name: [2-iodo-9-[(2-methoxyphenyl)methyl]-6-purinyl]-methylammonium chloride IUPAC Name: [2-iodo-9-[(2-methoxyphenyl)methyl]purin-6-yl]-methylazanium chloride Traditional Name: (2-iodo-9-o-anisyl-purin-6-yl)-methyl-ammonium chloride Formula: C14H15ClIN5O MolecularWeight: 431.65927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3OC)I.[Cl-]

Isomeric SMILES

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3OC)I.[Cl-]

InChI

InChI=1S/C14H14IN5O.ClH/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-5-3-4-6-10(9)21-2;/h3-6,8H,7H2,1-2H3,(H,16,18,19);1H