[(2S,3S,4S)-4-(6-aminopurin-9-yl)-3-azido-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,4S)-4-(6-aminopurin-9-yl)-3-azido-oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,4S)-4-(6-aminopurin-9-yl)-3-azido-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,4S)-4-(6-aminopurin-9-yl)-3-azido-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,4S)-4-(6-aminopurin-9-yl)-3-azidooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,4S)-4-adenin-9-yl-3-azido-tetrahydrofuran-2-yl]methyl ester Formula: C17H16N8O3 MolecularWeight: 380.36074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)COC(=O)C2=CC=CC=C2)N=[N+]=[N-])N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1[C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)N=[N+]=[N-])N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C17H16N8O3/c18-15-14-16(21-8-20-15)25(9-22-14)11-6-27-12(13(11)23-24-19)7-28-17(26)10-4-2-1-3-5-10/h1-5,8-9,11-13H,6-7H2,(H2,18,20,21)/t11-,12-,13+/m1/s1