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

Systemtic Name: [(2S,4S,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(cyclopropylcarbamoyl)oxolan-3-yl] ethanoate Openeye Name: [(2S,4S,5R)-4-acetoxy-5-(6-aminopurin-9-yl)-2-(cyclopropylcarbamoyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2S,4S,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-[(cyclopropylamino)-oxomethyl]-3-oxolanyl] ester IUPAC Name: [(2S,4S,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(cyclopropylcarbamoyl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2S,4S,5R)-4-acetoxy-5-adenin-9-yl-2-(cyclopropylcarbamoyl)tetrahydrofuran-3-yl] ester Formula: C17H20N6O6 MolecularWeight: 404.3773

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](O[C@@H](C1OC(=O)C)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C17H20N6O6/c1-7(24)27-11-12(16(26)22-9-3-4-9)29-17(13(11)28-8(2)25)23-6-21-10-14(18)19-5-20-15(10)23/h5-6,9,11-13,17H,3-4H2,1-2H3,(H,22,26)(H2,18,19,20)/t11?,12-,13-,17+/m0/s1