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

Systemtic Name: [(2R)-4-(2-azanyl-6-iodanyl-purin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate Openeye Name: [(2R)-4-(2-amino-6-iodo-purin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2R)-4-(2-amino-6-iodo-9-purinyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [(2R)-4-(2-amino-6-iodopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R)-4-(2-amino-6-iodo-purin-9-yl)-1,3-dioxolan-2-yl]methyl ester Formula: C16H14IN5O4 MolecularWeight: 467.21793

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4I)N

Isomeric SMILES

C1C(O[C@@H](O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4I)N

InChI

InChI=1S/C16H14IN5O4/c17-13-12-14(21-16(18)20-13)22(8-19-12)10-6-24-11(26-10)7-25-15(23)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2,(H2,18,20,21)/t10?,11-/m1/s1