N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[(4-nitrophenoxy)-oxidanyl-phosphinothioyl]oxy-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide

Systemtic Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[(4-nitrophenoxy)-oxidanyl-phosphinothioyl]oxy-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide Openeye Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxy-tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide CAS Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxy-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide Traditional Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[hydroxy-(4-nitrophenoxy)thiophosphoryl]oxy-tetrahydrofuran-2-yl]-6-keto-3H-purin-2-yl]-2-methyl-propionamide Formula: C41H41N6O11PS MolecularWeight: 856.836601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(=S)(O)OC7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(=S)(O)OC7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C41H41N6O11PS/c1-25(2)38(48)44-40-43-37-36(39(49)45-40)42-24-46(37)35-22-33(58-59(52,60)57-32-20-14-29(15-21-32)47(50)51)34(56-35)23-55-41(26-8-6-5-7-9-26,27-10-16-30(53-3)17-11-27)28-12-18-31(54-4)19-13-28/h5-21,24-25,33-35H,22-23H2,1-4H3,(H,52,60)(H2,43,44,45,48,49)/t33-,34+,35+,59?/m0/s1