[(2R,3S,6S)-3-acetyloxy-6-(6-benzamidopurin-9-yl)-3,6-dihydro-2H-pyran-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,6S)-3-acetyloxy-6-(6-benzamidopurin-9-yl)-3,6-dihydro-2H-pyran-2-yl]methyl ethanoate Openeye Name: [(2R,3S,6S)-3-acetoxy-6-(6-benzamidopurin-9-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,6S)-3-acetyloxy-6-(6-benzamido-9-purinyl)-3,6-dihydro-2H-pyran-2-yl]methyl ester IUPAC Name: [(2R,3S,6S)-3-acetyloxy-6-(6-benzamidopurin-9-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,6S)-3-acetoxy-6-(6-benzamidopurin-9-yl)-3,6-dihydro-2H-pyran-2-yl]methyl ester Formula: C22H21N5O6 MolecularWeight: 451.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C=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[C@H](O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C22H21N5O6/c1-13(28)31-10-17-16(32-14(2)29)8-9-18(33-17)27-12-25-19-20(23-11-24-21(19)27)26-22(30)15-6-4-3-5-7-15/h3-9,11-12,16-18H,10H2,1-2H3,(H,23,24,26,30)/t16-,17+,18-/m0/s1