[(2R,3S,5R)-3-acetyloxy-5-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,5R)-3-acetyloxy-5-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,5R)-3-acetoxy-5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,5R)-3-acetyloxy-5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-acetyloxy-5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,5R)-3-acetoxy-5-(2-amino-8-bromo-6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C14H16BrN5O6 MolecularWeight: 430.21074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CC(O1)N2C3=C(C(=O)N=C(N3)N)N=C2Br)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C3=C(C(=O)N=C(N3)N)N=C2Br)OC(=O)C

InChI

InChI=1S/C14H16BrN5O6/c1-5(21)24-4-8-7(25-6(2)22)3-9(26-8)20-11-10(17-13(20)15)12(23)19-14(16)18-11/h7-9H,3-4H2,1-2H3,(H3,16,18,19,23)/t7-,8+,9+/m0/s1