[(2R,3R,4R)-3,4-diacetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl hexanoate

Systemtic Name: [(2R,3R,4R)-3,4-diacetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl hexanoate Openeye Name: [(2R,3R,4R)-3,4-diacetoxy-5-(2-amino-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl hexanoate CAS Name: hexanoic acid [(2R,3R,4R)-3,4-diacetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R)-3,4-diacetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl hexanoate Traditional Name: hexanoic acid [(2R,3R,4R)-3,4-diacetoxy-5-(2-amino-6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C20H27N5O8 MolecularWeight: 465.45708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCC(=O)OC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H27N5O8/c1-4-5-6-7-13(28)30-8-12-15(31-10(2)26)16(32-11(3)27)19(33-12)25-9-22-14-17(25)23-20(21)24-18(14)29/h9,12,15-16,19H,4-8H2,1-3H3,(H3,21,23,24,29)/t12-,15-,16-,19?/m1/s1