[1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methoxy-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methoxy-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [1-(2-amino-6-oxo-3H-purin-9-yl)-2-methoxy-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [1-(2-amino-6-oxo-3H-purin-9-yl)-2-methoxyethyl] ester IUPAC Name: [1-(2-amino-6-oxo-3H-purin-9-yl)-2-methoxyethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [1-(2-amino-6-keto-3H-purin-9-yl)-2-methoxy-ethyl] ester Formula: C21H26N6O6 MolecularWeight: 458.46774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(COC)N1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OC(COC)N1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N6O6/c1-12(2)15(24-21(30)32-9-13-7-5-4-6-8-13)19(29)33-14(10-31-3)27-11-23-16-17(27)25-20(22)26-18(16)28/h4-8,11-12,14-15H,9-10H2,1-3H3,(H,24,30)(H3,22,25,26,28)