[2-cyclohexyl-9-(phenylmethyl)purin-6-yl]-methyl-azanium chloride

Systemtic Name: [2-cyclohexyl-9-(phenylmethyl)purin-6-yl]-methyl-azanium chloride Openeye Name: (9-benzyl-2-cyclohexyl-purin-6-yl)-methyl-ammonium chloride CAS Name: [2-cyclohexyl-9-(phenylmethyl)-6-purinyl]-methylammonium chloride IUPAC Name: (9-benzyl-2-cyclohexylpurin-6-yl)-methylazanium chloride Traditional Name: (9-benzyl-2-cyclohexyl-purin-6-yl)-methyl-ammonium chloride Formula: C19H24ClN5 MolecularWeight: 357.88036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C4CCCCC4.[Cl-]

Isomeric SMILES

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)C4CCCCC4.[Cl-]

InChI

InChI=1S/C19H23N5.ClH/c1-20-18-16-19(23-17(22-18)15-10-6-3-7-11-15)24(13-21-16)12-14-8-4-2-5-9-14;/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,20,22,23);1H