[3,4-diacetyloxy-5-[2-azanyl-7-(2-hydroxyethyl)-6-oxidanylidene-3H-purin-9-ium-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-[2-azanyl-7-(2-hydroxyethyl)-6-oxidanylidene-3H-purin-9-ium-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[2-amino-7-(2-hydroxyethyl)-6-oxo-3H-purin-9-ium-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[2-amino-7-(2-hydroxyethyl)-6-oxo-3H-purin-9-ium-9-yl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[2-amino-7-(2-hydroxyethyl)-6-oxo-3H-purin-9-ium-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[2-amino-7-(2-hydroxyethyl)-6-keto-3H-purin-9-ium-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C18H24N5O9+ MolecularWeight: 454.41126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)[N+]2=CN(C3=C2NC(=NC3=O)N)CCO)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)[N+]2=CN(C3=C2NC(=NC3=O)N)CCO)OC(=O)C)OC(=O)C

InChI

InChI=1S/C18H23N5O9/c1-8(25)29-6-11-13(30-9(2)26)14(31-10(3)27)17(32-11)23-7-22(4-5-24)12-15(23)20-18(19)21-16(12)28/h7,11,13-14,17,24H,4-6H2,1-3H3,(H2-,19,20,21,28)/p+1