[(2R,3S,5R)-3-acetyloxy-5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-oxidanylidene-3H-purin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,5R)-3-acetyloxy-5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-oxidanylidene-3H-purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,5R)-3-acetoxy-5-[2-(1,3-dioxoisoindolin-2-yl)-6-oxo-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,5R)-3-acetyloxy-5-[2-(1,3-dioxo-2-isoindolyl)-6-oxo-3H-purin-9-yl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-acetyloxy-5-[2-(1,3-dioxoisoindol-2-yl)-6-oxo-3H-purin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,5R)-3-acetoxy-5-[2-(1,3-diketoisoindolin-2-yl)-6-keto-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C22H19N5O8 MolecularWeight: 482.408369

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N4C(=O)C5=CC=CC=C5C4=O)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2NC(=NC3=O)[15N]4C(=O)C5=CC=CC=C5C4=O)OC(=O)C

InChI

InChI=1S/C22H19N5O8/c1-10(28)33-8-15-14(34-11(2)29)7-16(35-15)26-9-23-17-18(26)24-22(25-19(17)30)27-20(31)12-5-3-4-6-13(12)21(27)32/h3-6,9,14-16H,7-8H2,1-2H3,(H,24,25,30)/t14-,15+,16+/m0/s1/i27+1