N-[9-[(3R,4R,5R,6R)-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-1-(diphenylmethyl)-4-methoxy-5-oxidanyl-piperidin-3-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(3R,4R,5R,6R)-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-1-(diphenylmethyl)-4-methoxy-5-oxidanyl-piperidin-3-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(3R,4R,5R,6R)-1-benzhydryl-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-hydroxy-4-methoxy-3-piperidyl]purin-6-yl]benzamide CAS Name: N-[9-[(3R,4R,5R,6R)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(diphenylmethyl)-5-hydroxy-4-methoxy-3-piperidinyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(3R,4R,5R,6R)-1-benzhydryl-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-hydroxy-4-methoxypiperidin-3-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(3R,4R,5R,6R)-1-benzhydryl-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-hydroxy-4-methoxy-3-piperidyl]purin-6-yl]benzamide Formula: C53H50N6O6 MolecularWeight: 867.0007

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(CN(C(C1O)COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C(C5=CC=CC=C5)C6=CC=CC=C6)N7C=NC8=C7N=CN=C8NC(=O)C9=CC=CC=C9

Isomeric SMILES

CO[C@@H]1[C@@H](CN([C@@H]([C@H]1O)COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C(C5=CC=CC=C5)C6=CC=CC=C6)N7C=NC8=C7N=CN=C8NC(=O)C9=CC=CC=C9

InChI

InChI=1S/C53H50N6O6/c1-62-42-28-24-40(25-29-42)53(39-22-14-7-15-23-39,41-26-30-43(63-2)31-27-41)65-33-45-48(60)49(64-3)44(32-58(45)47(36-16-8-4-9-17-36)37-18-10-5-11-19-37)59-35-56-46-50(54-34-55-51(46)59)57-52(61)38-20-12-6-13-21-38/h4-31,34-35,44-45,47-49,60H,32-33H2,1-3H3,(H,54,55,57,61)/t44-,45-,48-,49-/m1/s1