[(2R,3S,4S,5R)-4-acetyloxy-5-(6-azanylpurin-7-yl)-3-bromanyl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R)-4-acetyloxy-5-(6-azanylpurin-7-yl)-3-bromanyl-oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R)-4-acetoxy-5-(6-aminopurin-7-yl)-3-bromo-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R)-4-acetyloxy-5-(6-amino-7-purinyl)-3-bromo-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R)-4-acetyloxy-5-(6-aminopurin-7-yl)-3-bromooxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R)-4-acetoxy-5-(6-aminopurin-7-yl)-3-bromo-tetrahydrofuran-2-yl]methyl ester Formula: C14H16BrN5O5 MolecularWeight: 414.21134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2C(=NC=N3)N)OC(=O)C)Br

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C2C(=NC=N3)N)OC(=O)C)Br

InChI

InChI=1S/C14H16BrN5O5/c1-6(21)23-3-8-9(15)11(24-7(2)22)14(25-8)20-5-19-13-10(20)12(16)17-4-18-13/h4-5,8-9,11,14H,3H2,1-2H3,(H2,16,17,18)/t8-,9+,11-,14-/m1/s1