[(2R,4R)-4-[(6-aminopurin-9-yl)methyl]-1,3-dioxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,4R)-4-[(6-aminopurin-9-yl)methyl]-1,3-dioxolan-2-yl]methyl benzoate Openeye Name: [(2R,4R)-4-[(6-aminopurin-9-yl)methyl]-1,3-dioxolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,4R)-4-[(6-aminopurin-9-yl)methyl]-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [(2R,4R)-4-[(6-aminopurin-9-yl)methyl]-1,3-dioxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,4R)-4-(adenin-9-ylmethyl)-1,3-dioxolan-2-yl]methyl ester Formula: C17H17N5O4 MolecularWeight: 355.34798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COC(=O)C2=CC=CC=C2)CN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1[C@H](O[C@@H](O1)COC(=O)C2=CC=CC=C2)CN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C17H17N5O4/c18-15-14-16(20-9-19-15)22(10-21-14)6-12-7-24-13(26-12)8-25-17(23)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H2,18,19,20)/t12-,13-/m1/s1