2-[(2S,3R,4R,5R)-4-acetyloxy-2-(azidomethyl)-5-(6-benzamidopurin-9-yl)oxolan-3-yl]ethanoic acid

Systemtic Name: 2-[(2S,3R,4R,5R)-4-acetyloxy-2-(azidomethyl)-5-(6-benzamidopurin-9-yl)oxolan-3-yl]ethanoic acid Openeye Name: 2-[(2S,3R,4R,5R)-4-acetoxy-2-(azidomethyl)-5-(6-benzamidopurin-9-yl)tetrahydrofuran-3-yl]acetic acid CAS Name: 2-[(2S,3R,4R,5R)-4-acetyloxy-2-(azidomethyl)-5-(6-benzamido-9-purinyl)-3-oxolanyl]acetic acid IUPAC Name: 2-[(2S,3R,4R,5R)-4-acetyloxy-2-(azidomethyl)-5-(6-benzamidopurin-9-yl)oxolan-3-yl]acetic acid Traditional Name: 2-[(2S,3R,4R,5R)-4-acetoxy-2-(azidomethyl)-5-(6-benzamidopurin-9-yl)tetrahydrofuran-3-yl]acetic acid Formula: C21H20N8O6 MolecularWeight: 480.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)CN=[N+]=[N-])CC(=O)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)CN=[N+]=[N-])CC(=O)O

InChI

InChI=1S/C21H20N8O6/c1-11(30)34-17-13(7-15(31)32)14(8-26-28-22)35-21(17)29-10-25-16-18(23-9-24-19(16)29)27-20(33)12-5-3-2-4-6-12/h2-6,9-10,13-14,17,21H,7-8H2,1H3,(H,31,32)(H,23,24,27,33)/t13-,14-,17-,21-/m1/s1