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

Systemtic Name: [1-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-methoxy-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [1-(2-acetamido-6-oxo-3H-purin-9-yl)-2-methoxy-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [1-(2-acetamido-6-oxo-3H-purin-9-yl)-2-methoxyethyl] ester IUPAC Name: [1-(2-acetamido-6-oxo-3H-purin-9-yl)-2-methoxyethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [1-(2-acetamido-6-keto-3H-purin-9-yl)-2-methoxy-ethyl] ester Formula: C23H28N6O7 MolecularWeight: 500.50442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O7/c1-13(2)17(26-23(33)35-10-15-8-6-5-7-9-15)21(32)36-16(11-34-4)29-12-24-18-19(29)27-22(25-14(3)30)28-20(18)31/h5-9,12-13,16-17H,10-11H2,1-4H3,(H,26,33)(H2,25,27,28,30,31)