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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COC(=O)C2=CC=CC=C2)CN3C=NC(=C4C3=NC=N4)N

Isomeric SMILES

C1[C@@H](O[C@@H](O1)COC(=O)C2=CC=CC=C2)CN3C=NC(=C4C3=NC=N4)N

InChI

InChI=1S/C17H17N5O4/c18-15-14-16(20-9-19-14)22(10-21-15)6-12-7-24-13(26-12)8-25-17(23)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8,18H2/t12-,13+/m0/s1