[(2R,3R,4S,5R)-5-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-3-bromanyl-4-oxidanyl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R)-5-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-3-bromanyl-4-oxidanyl-oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-3-bromo-4-hydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-3-bromo-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-3-bromo-4-hydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R)-5-(2-acetamido-6-keto-3H-purin-9-yl)-3-bromo-4-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C14H16BrN5O6 MolecularWeight: 430.21074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COC(=O)C)Br)O

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@H](O3)COC(=O)C)Br)O

InChI

InChI=1S/C14H16BrN5O6/c1-5(21)17-14-18-11-9(12(24)19-14)16-4-20(11)13-10(23)8(15)7(26-13)3-25-6(2)22/h4,7-8,10,13,23H,3H2,1-2H3,(H2,17,18,19,21,24)/t7-,8+,10-,13-/m1/s1