N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-dipyrrolidin-1-ylphosphanyloxy-oxolan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-dipyrrolidin-1-ylphosphanyloxy-oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-dipyrrolidin-1-ylphosphanyloxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[bis(1-pyrrolidinyl)phosphinooxy]-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-dipyrrolidin-1-ylphosphanyloxyoxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-dipyrrolidinophosphinooxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C46H50N7O6P MolecularWeight: 827.906261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)OP(N8CCCC8)N9CCCC9

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)OP(N8CCCC8)N9CCCC9

InChI

InChI=1S/C46H50N7O6P/c1-55-37-21-17-35(18-22-37)46(34-15-7-4-8-16-34,36-19-23-38(56-2)24-20-36)57-30-40-39(59-60(51-25-9-10-26-51)52-27-11-12-28-52)29-41(58-40)53-32-49-42-43(47-31-48-44(42)53)50-45(54)33-13-5-3-6-14-33/h3-8,13-24,31-32,39-41H,9-12,25-30H2,1-2H3,(H,47,48,50,54)/t39-,40+,41+/m0/s1