6-iodanyl-9-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]purin-2-amine

Systemtic Name: 6-iodanyl-9-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]purin-2-amine Openeye Name: 9-[(3R,5S,6R)-5-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-3-yl]-6-iodo-purin-2-amine CAS Name: 6-iodo-9-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-oxanyl]-2-purinamine IUPAC Name: 6-iodo-9-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]purin-2-amine Traditional Name: [9-[(3R,5S,6R)-5-benzoxy-6-(benzoxymethyl)tetrahydropyran-3-yl]-6-iodo-purin-2-yl]amine Formula: C25H26IN5O3 MolecularWeight: 571.41011

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(C1OCC2=CC=CC=C2)COCC3=CC=CC=C3)N4C=NC5=C4N=C(N=C5I)N

Isomeric SMILES

C1[C@H](CO[C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)N4C=NC5=C4N=C(N=C5I)N

InChI

InChI=1S/C25H26IN5O3/c26-23-22-24(30-25(27)29-23)31(16-28-22)19-11-20(33-13-18-9-5-2-6-10-18)21(34-14-19)15-32-12-17-7-3-1-4-8-17/h1-10,16,19-21H,11-15H2,(H2,27,29,30)/t19-,20+,21-/m1/s1