4-[[(2R,3R,4R,5R)-5-[2-[(E)-dimethylaminomethylideneamino]-6-oxidanylidene-3H-purin-9-yl]-4-[1-(2-fluorophenyl)-4-methoxy-piperidin-4-yl]oxy-3-(9-phenylxanthen-9-yl)oxy-oxolan-2-yl]methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2R,3R,4R,5R)-5-[2-[(E)-dimethylaminomethylideneamino]-6-oxidanylidene-3H-purin-9-yl]-4-[1-(2-fluorophenyl)-4-methoxy-piperidin-4-yl]oxy-3-(9-phenylxanthen-9-yl)oxy-oxolan-2-yl]methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2R,3R,4R,5R)-5-[2-[(E)-dimethylaminomethyleneamino]-6-oxo-3H-purin-9-yl]-4-[[1-(2-fluorophenyl)-4-methoxy-4-piperidyl]oxy]-3-(9-phenylxanthen-9-yl)oxy-tetrahydrofuran-2-yl]methoxy]-4-oxo-butanoic acid CAS Name: 4-[[(2R,3R,4R,5R)-5-[2-[(E)-dimethylaminomethylideneamino]-6-oxo-3H-purin-9-yl]-4-[[1-(2-fluorophenyl)-4-methoxy-4-piperidinyl]oxy]-3-[(9-phenyl-9-xanthenyl)oxy]-2-oxolanyl]methoxy]-4-oxobutanoic acid IUPAC Name: 4-[[(2R,3R,4R,5R)-5-[2-[(E)-dimethylaminomethylideneamino]-6-oxo-3H-purin-9-yl]-4-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]oxy-3-(9-phenylxanthen-9-yl)oxyoxolan-2-yl]methoxy]-4-oxobutanoic acid Traditional Name: 4-[[(2R,3R,4R,5R)-5-[2-[(E)-dimethylaminomethyleneamino]-6-keto-3H-purin-9-yl]-4-[[1-(2-fluorophenyl)-4-methoxy-4-piperidyl]oxy]-3-(9-phenylxanthen-9-yl)oxy-tetrahydrofuran-2-yl]methoxy]-4-keto-butyric acid Formula: C48H48FN7O10 MolecularWeight: 901.934023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COC(=O)CCC(=O)O)OC4(C5=CC=CC=C5OC6=CC=CC=C64)C7=CC=CC=C7)OC8(CCN(CC8)C9=CC=CC=C9F)OC

Isomeric SMILES

CN(C)/C=N/C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)CCC(=O)O)OC4(C5=CC=CC=C5OC6=CC=CC=C64)C7=CC=CC=C7)OC8(CCN(CC8)C9=CC=CC=C9F)OC

InChI

InChI=1S/C48H48FN7O10/c1-54(2)28-51-46-52-43-40(44(60)53-46)50-29-56(43)45-42(65-47(61-3)23-25-55(26-24-47)34-18-10-9-17-33(34)49)41(37(64-45)27-62-39(59)22-21-38(57)58)66-48(30-13-5-4-6-14-30)31-15-7-11-19-35(31)63-36-20-12-8-16-32(36)48/h4-20,28-29,37,41-42,45H,21-27H2,1-3H3,(H,57,58)(H,52,53,60)/b51-28+/t37-,41-,42-,45-/m1/s1