[(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl ethanoate

Systemtic Name: [(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl ethanoate Openeye Name: [(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl acetate CAS Name: acetic acid [(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)-2-oxetanyl]methyl ester IUPAC Name: [(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3R,4R)-4-adenin-9-yl-3-methylol-oxetan-2-yl]methyl ester Formula: C12H15N5O4 MolecularWeight: 293.2786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)CO

InChI

InChI=1S/C12H15N5O4/c1-6(19)20-3-8-7(2-18)12(21-8)17-5-16-9-10(13)14-4-15-11(9)17/h4-5,7-8,12,18H,2-3H2,1H3,(H2,13,14,15)/t7-,8-,12-/m1/s1