ethyl 2-[(2S,3R,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(azidomethyl)oxolan-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2S,3R,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(azidomethyl)oxolan-3-yl]ethanoate Openeye Name: ethyl 2-[(2S,3R,4R,5R)-4-acetoxy-5-(6-aminopurin-9-yl)-2-(azidomethyl)tetrahydrofuran-3-yl]acetate CAS Name: 2-[(2S,3R,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(azidomethyl)-3-oxolanyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S,3R,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(azidomethyl)oxolan-3-yl]acetate Traditional Name: 2-[(2S,3R,4R,5R)-4-acetoxy-5-adenin-9-yl-2-(azidomethyl)tetrahydrofuran-3-yl]acetic acid ethyl ester Formula: C16H20N8O5 MolecularWeight: 404.3806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3N)CN=[N+]=[N-]

Isomeric SMILES

CCOC(=O)C[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=NC3=C2N=CN=C3N)CN=[N+]=[N-]

InChI

InChI=1S/C16H20N8O5/c1-3-27-11(26)4-9-10(5-22-23-18)29-16(13(9)28-8(2)25)24-7-21-12-14(17)19-6-20-15(12)24/h6-7,9-10,13,16H,3-5H2,1-2H3,(H2,17,19,20)/t9-,10-,13-,16-/m1/s1