N-[(2R,3R,4S,5R)-2-[6-(1,3-benzodioxol-5-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2R,3R,4S,5R)-2-[6-(1,3-benzodioxol-5-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[(2R,3R,4S,5R)-2-[6-(1,3-benzodioxol-5-ylmethylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]-2-phenoxy-acetamide CAS Name: N-[(2R,3R,4S,5R)-2-[6-(1,3-benzodioxol-5-ylmethylamino)-9-purinyl]-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]-2-phenoxyacetamide IUPAC Name: N-[(2R,3R,4S,5R)-2-[6-(1,3-benzodioxol-5-ylmethylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-phenoxyacetamide Traditional Name: N-[(2R,3R,4S,5R)-4-hydroxy-5-methylol-2-[6-(piperonylamino)purin-9-yl]tetrahydrofuran-3-yl]-2-phenoxy-acetamide Formula: C26H26N6O7 MolecularWeight: 534.52064

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)NC(=O)COC6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)NC(=O)COC6=CC=CC=C6

InChI

InChI=1S/C26H26N6O7/c33-10-19-23(35)21(31-20(34)11-36-16-4-2-1-3-5-16)26(39-19)32-13-30-22-24(28-12-29-25(22)32)27-9-15-6-7-17-18(8-15)38-14-37-17/h1-8,12-13,19,21,23,26,33,35H,9-11,14H2,(H,31,34)(H,27,28,29)/t19-,21-,23-,26-/m1/s1