[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,5R)-5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl] ester Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1CO)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O4/c1-6(19)20-7-2-9(21-8(7)3-18)17-5-16-10-11(13)14-4-15-12(10)17/h4-5,7-9,18H,2-3H2,1H3,(H2,13,14,15)/t7-,8+,9+/m0/s1