[(2R,3S,5S)-3-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,5S)-3-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,5S)-3-acetoxy-5-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,5S)-3-acetyloxy-5-(6-benzamido-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5S)-3-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,5S)-3-acetoxy-5-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H](C[C@H](O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C21H21N5O6/c1-12(27)30-9-16-15(31-13(2)28)8-17(32-16)26-11-24-18-19(22-10-23-20(18)26)25-21(29)14-6-4-3-5-7-14/h3-7,10-11,15-17H,8-9H2,1-2H3,(H,22,23,25,29)/t15-,16+,17-/m0/s1