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

Systemtic Name: N-[(2R,3R,4S,5R)-2-[6-[2-(1,3-benzodioxol-5-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[(2R,3R,4S,5R)-2-[6-[2-(1,3-benzodioxol-5-yl)ethylamino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]-2-phenoxy-acetamide CAS Name: N-[(2R,3R,4S,5R)-2-[6-[2-(1,3-benzodioxol-5-yl)ethylamino]-9-purinyl]-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]-2-phenoxyacetamide IUPAC Name: N-[(2R,3R,4S,5R)-2-[6-[2-(1,3-benzodioxol-5-yl)ethylamino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-phenoxyacetamide Traditional Name: N-[(2R,3R,4S,5R)-2-[6-(homopiperonylamino)purin-9-yl]-4-hydroxy-5-methylol-tetrahydrofuran-3-yl]-2-phenoxy-acetamide Formula: C27H28N6O7 MolecularWeight: 548.54722

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)NC(=O)COC6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=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/C27H28N6O7/c34-11-20-24(36)22(32-21(35)12-37-17-4-2-1-3-5-17)27(40-20)33-14-31-23-25(29-13-30-26(23)33)28-9-8-16-6-7-18-19(10-16)39-15-38-18/h1-7,10,13-14,20,22,24,27,34,36H,8-9,11-12,15H2,(H,32,35)(H,28,29,30)/t20-,22-,24-,27-/m1/s1