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

Systemtic Name: 9-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]purin-6-amine Openeye Name: 9-[(3R,5S,6R)-5-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-3-yl]purin-6-amine CAS Name: 9-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-oxanyl]-6-purinamine IUPAC Name: 9-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]purin-6-amine Traditional Name: [9-[(3R,5S,6R)-5-benzoxy-6-(benzoxymethyl)tetrahydropyran-3-yl]purin-6-yl]amine Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(C1OCC2=CC=CC=C2)COCC3=CC=CC=C3)N4C=NC5=C4N=CN=C5N

Isomeric SMILES

C1[C@H](CO[C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)N4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C25H27N5O3/c26-24-23-25(28-16-27-24)30(17-29-23)20-11-21(32-13-19-9-5-2-6-10-19)22(33-14-20)15-31-12-18-7-3-1-4-8-18/h1-10,16-17,20-22H,11-15H2,(H2,26,27,28)/t20-,21+,22-/m1/s1