9-[(2R,4aR,7S,8S,8aS)-8-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine

Systemtic Name: 9-[(2R,4aR,7S,8S,8aS)-8-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine Openeye Name: 9-[(2R,4aR,7S,8S,8aS)-8-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine CAS Name: 9-[(2R,4aR,7S,8S,8aS)-8-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-6-purinamine IUPAC Name: 9-[(2R,4aR,7S,8S,8aS)-8-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine Traditional Name: [9-[(2R,4aR,7S,8S,8aS)-8-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]amine Formula: C39H37N5O5 MolecularWeight: 655.74158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(COC5C4OC(OC5)C6=CC=CC=C6)N7C=NC8=C7N=CN=C8N

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@@H](CO[C@H]5[C@H]4O[C@@H](OC5)C6=CC=CC=C6)N7C=NC8=C7N=CN=C8N

InChI

InChI=1S/C39H37N5O5/c1-45-30-19-17-29(18-20-30)39(27-13-7-3-8-14-27,28-15-9-4-10-16-28)48-21-31-32(44-25-43-34-36(40)41-24-42-37(34)44)22-46-33-23-47-38(49-35(31)33)26-11-5-2-6-12-26/h2-20,24-25,31-33,35,38H,21-23H2,1H3,(H2,40,41,42)/t31-,32-,33-,35+,38-/m1/s1