ethyl 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carboxylate

Systemtic Name: ethyl 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carboxylate Openeye Name: ethyl 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carboxylate CAS Name: 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate Traditional Name: 2-adenin-9-yl-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-carboxylic acid ethyl ester Formula: C13H17N5O6 MolecularWeight: 339.30398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(C(O1)CO)O)O)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

CCOC(=O)C1(C(C(C(O1)CO)O)O)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C13H17N5O6/c1-2-23-12(22)13(9(21)8(20)6(3-19)24-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,19-21H,2-3H2,1H3,(H2,14,15,16)