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

Systemtic Name: [6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)purin-8-yl] 2,2-dimethylpropyl carbonate Openeye Name: [6-amino-9-benzyl-2-(2-methoxyethoxy)purin-8-yl] 2,2-dimethylpropyl carbonate CAS Name: carbonic acid [6-amino-2-(2-methoxyethoxy)-9-(phenylmethyl)-8-purinyl] 2,2-dimethylpropyl ester IUPAC Name: [6-amino-9-benzyl-2-(2-methoxyethoxy)purin-8-yl] 2,2-dimethylpropyl carbonate Traditional Name: carbonic acid [6-amino-9-benzyl-2-(2-methoxyethoxy)purin-8-yl] neopentyl ester Formula: C21H27N5O5 MolecularWeight: 429.46958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O5/c1-21(2,3)13-30-20(27)31-19-23-15-16(22)24-18(29-11-10-28-4)25-17(15)26(19)12-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3,(H2,22,24,25)