[(2R,3S,5R)-3-acetyloxy-5-(6-pyridin-1-ium-1-ylpurin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,5R)-3-acetyloxy-5-(6-pyridin-1-ium-1-ylpurin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,5R)-3-acetoxy-5-(6-pyridin-1-ium-1-ylpurin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,5R)-3-acetyloxy-5-[6-(1-pyridin-1-iumyl)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-acetyloxy-5-(6-pyridin-1-ium-1-ylpurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,5R)-3-acetoxy-5-(6-pyridin-1-ium-1-ylpurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C19H20N5O5+ MolecularWeight: 398.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3[N+]4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3[N+]4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C19H20N5O5/c1-12(25)27-9-15-14(28-13(2)26)8-16(29-15)24-11-22-17-18(20-10-21-19(17)24)23-6-4-3-5-7-23/h3-7,10-11,14-16H,8-9H2,1-2H3/q+1/t14-,15+,16+/m0/s1