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

Systemtic Name: [(2R)-4-[2-azanyl-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl benzoate Openeye Name: [(2R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2R)-4-[2-amino-6-(cyclopropylamino)-9-purinyl]-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [(2R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methyl ester Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4COC(O4)COC(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4CO[C@H](O4)COC(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C19H20N6O4/c20-19-23-16(22-12-6-7-12)15-17(24-19)25(10-21-15)13-8-27-14(29-13)9-28-18(26)11-4-2-1-3-5-11/h1-5,10,12-14H,6-9H2,(H3,20,22,23,24)/t13?,14-/m1/s1