[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3,3-dimethyl-2-oxidanylidene-butanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3,3-dimethyl-2-oxidanylidene-butanoate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 3,3-dimethyl-2-oxo-butanoate CAS Name: 3,3-dimethyl-2-oxobutanoic acid [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3,3-dimethyl-2-oxobutanoate Traditional Name: 2-keto-3,3-dimethyl-butyric acid (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C16H21N5O6 MolecularWeight: 379.36784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CC(C)(C)C(=O)C(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C16H21N5O6/c1-16(2,3)11(24)15(25)26-4-7-9(22)10(23)14(27-7)21-6-20-8-12(17)18-5-19-13(8)21/h5-7,9-10,14,22-23H,4H2,1-3H3,(H2,17,18,19)