N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[3-[2,2,2-tris(fluoranyl)ethanoylamino]propoxy]oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide

Systemtic Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[3-[2,2,2-tris(fluoranyl)ethanoylamino]propoxy]oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide Openeye Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-3-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide CAS Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxy-3-[3-[(2,2,2-trifluoro-1-oxoethyl)amino]propoxy]-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide IUPAC Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide Traditional Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphino]oxy-3-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]tetrahydrofuran-2-yl]-6-keto-3H-purin-2-yl]-2-methyl-propionamide Formula: C49H60F3N8O10P MolecularWeight: 1009.017271

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)OCCCNC(=O)C(F)(F)F

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)OCCCNC(=O)C(F)(F)F

InChI

InChI=1S/C49H60F3N8O10P/c1-30(2)43(61)57-47-56-42-39(44(62)58-47)55-29-59(42)45-41(66-26-13-25-54-46(63)49(50,51)52)40(70-71(68-27-12-24-53)60(31(3)4)32(5)6)38(69-45)28-67-48(33-14-10-9-11-15-33,34-16-20-36(64-7)21-17-34)35-18-22-37(65-8)23-19-35/h9-11,14-23,29-32,38,40-41,45H,12-13,25-28H2,1-8H3,(H,54,63)(H2,56,57,58,61,62)/t38-,40-,41-,45-,71?/m1/s1