9-methyl-N-[(2-methylpropan-2-yl)oxy]-7-(phenylmethyl)purin-9-ium-6-amine

Systemtic Name: 9-methyl-N-[(2-methylpropan-2-yl)oxy]-7-(phenylmethyl)purin-9-ium-6-amine Openeye Name: 7-benzyl-N-tert-butoxy-9-methyl-purin-9-ium-6-amine CAS Name: 9-methyl-N-[(2-methylpropan-2-yl)oxy]-7-(phenylmethyl)-6-purin-9-iumamine IUPAC Name: 7-benzyl-9-methyl-N-[(2-methylpropan-2-yl)oxy]purin-9-ium-6-amine Traditional Name: (7-benzyl-9-methyl-purin-9-ium-6-yl)-tert-butoxy-amine Formula: C17H22N5O+ MolecularWeight: 312.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ONC1=NC=NC2=C1N(C=[N+]2C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)ONC1=NC=NC2=C1N(C=[N+]2C)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N5O/c1-17(2,3)23-20-15-14-16(19-11-18-15)21(4)12-22(14)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,18,19,20)/q+1