[3,4-diacetyloxy-5-(6-pyridin-1-ium-1-ylpurin-9-yl)oxolan-2-yl]methyl ethanoate chloride

Systemtic Name: [3,4-diacetyloxy-5-(6-pyridin-1-ium-1-ylpurin-9-yl)oxolan-2-yl]methyl ethanoate chloride Openeye Name: [3,4-diacetoxy-5-(6-pyridin-1-ium-1-ylpurin-9-yl)tetrahydrofuran-2-yl]methyl acetate chloride CAS Name: acetic acid [3,4-diacetyloxy-5-[6-(1-pyridin-1-iumyl)-9-purinyl]-2-oxolanyl]methyl ester chloride IUPAC Name: [3,4-diacetyloxy-5-(6-pyridin-1-ium-1-ylpurin-9-yl)oxolan-2-yl]methyl acetate chloride Traditional Name: acetic acid [3,4-diacetoxy-5-(6-pyridin-1-ium-1-ylpurin-9-yl)tetrahydrofuran-2-yl]methyl ester chloride Formula: C21H22ClN5O7 MolecularWeight: 491.88168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N5O7.ClH/c1-12(27)30-9-15-17(31-13(2)28)18(32-14(3)29)21(33-15)26-11-24-16-19(22-10-23-20(16)26)25-7-5-4-6-8-25;/h4-8,10-11,15,17-18,21H,9H2,1-3H3;1H/q+1;/p-1