[(2R,3R,4R,5R)-5-[6-[bis(phenylcarbonyl)amino]purin-9-yl]-2-[[2-cyanoethoxy-[[2-(6-methoxy-7-methyl-3-oxidanylidene-4-phenylmethoxy-1H-2-benzofuran-5-yl)ethoxy-phenylmethoxy-phosphoryl]methoxy]phosphoryl]oxymethyl]-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate

Systemtic Name: [(2R,3R,4R,5R)-5-[6-[bis(phenylcarbonyl)amino]purin-9-yl]-2-[[2-cyanoethoxy-[[2-(6-methoxy-7-methyl-3-oxidanylidene-4-phenylmethoxy-1H-2-benzofuran-5-yl)ethoxy-phenylmethoxy-phosphoryl]methoxy]phosphoryl]oxymethyl]-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate Openeye Name: [(2R,3R,4R,5R)-4-benzoyloxy-2-[[[benzyloxy-[2-(4-benzyloxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethoxy]phosphoryl]methoxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-[6-(dibenzoylamino)purin-9-yl]tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-4-benzoyloxy-2-[[2-cyanoethoxy-[[2-(6-methoxy-7-methyl-3-oxo-4-phenylmethoxy-1H-isobenzofuran-5-yl)ethoxy-phenylmethoxyphosphoryl]methoxy]phosphoryl]oxymethyl]-5-[6-(dibenzoylamino)-9-purinyl]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-4-benzoyloxy-2-[[2-cyanoethoxy-[[2-(6-methoxy-7-methyl-3-oxo-4-phenylmethoxy-1H-2-benzofuran-5-yl)ethoxy-phenylmethoxyphosphoryl]methoxy]phosphoryl]oxymethyl]-5-[6-(dibenzoylamino)purin-9-yl]oxolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-2-[[[benzoxy-[2-(4-benzoxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)ethoxy]phosphoryl]methoxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-4-benzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]tetrahydrofuran-3-yl] ester Formula: C68H60N6O18P2 MolecularWeight: 1311.180922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OCC3=CC=CC=C3)CCOP(=O)(COP(=O)(OCCC#N)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N(C(=O)C7=CC=CC=C7)C(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OCC3=CC=CC=C3)CCOP(=O)(COP(=O)(OCCC#N)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N(C(=O)C7=CC=CC=C7)C(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1)OC

InChI

InChI=1S/C68H60N6O18P2/c1-45-53-40-84-68(79)55(53)58(83-38-46-22-9-3-10-23-46)52(57(45)82-2)34-37-85-93(80,87-39-47-24-11-4-12-25-47)44-89-94(81,86-36-21-35-69)88-41-54-59(91-66(77)50-30-17-7-18-31-50)60(92-67(78)51-32-19-8-20-33-51)65(90-54)73-43-72-56-61(73)70-42-71-62(56)74(63(75)48-26-13-5-14-27-48)64(76)49-28-15-6-16-29-49/h3-20,22-33,42-43,54,59-60,65H,21,34,36-41,44H2,1-2H3/t54-,59-,60-,65-,93?,94?/m1/s1