methyl (2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylate

Systemtic Name: methyl (2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylate Openeye Name: methyl (2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-carboxylate CAS Name: (2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylate Traditional Name: (2S,3S,5R)-5-adenin-9-yl-2-methylol-tetrahydrofuran-3-carboxylic acid methyl ester Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(OC1CO)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

COC(=O)[C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H15N5O4/c1-20-12(19)6-2-8(21-7(6)3-18)17-5-16-9-10(13)14-4-15-11(9)17/h4-8,18H,2-3H2,1H3,(H2,13,14,15)/t6-,7+,8+/m0/s1