[6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)purin-8-yl] hexyl carbonate

Systemtic Name: [6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)purin-8-yl] hexyl carbonate Openeye Name: [6-amino-9-benzyl-2-(2-methoxyethoxy)purin-8-yl] hexyl carbonate CAS Name: carbonic acid [6-amino-2-(2-methoxyethoxy)-9-(phenylmethyl)-8-purinyl] hexyl ester IUPAC Name: [6-amino-9-benzyl-2-(2-methoxyethoxy)purin-8-yl] hexyl carbonate Traditional Name: carbonic acid [6-amino-9-benzyl-2-(2-methoxyethoxy)purin-8-yl] hexyl ester Formula: C22H29N5O5 MolecularWeight: 443.49616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2N)OCCOC

Isomeric SMILES

CCCCCCOC(=O)OC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2N)OCCOC

InChI

InChI=1S/C22H29N5O5/c1-3-4-5-9-12-31-22(28)32-21-24-17-18(23)25-20(30-14-13-29-2)26-19(17)27(21)15-16-10-7-6-8-11-16/h6-8,10-11H,3-5,9,12-15H2,1-2H3,(H2,23,25,26)