N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(triphenylmethyl)sulfanyl-oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide

Systemtic Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(triphenylmethyl)sulfanyl-oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide Openeye Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-3-tritylsulfanyl-tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide CAS Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxy-3-[(triphenylmethyl)thio]-2-oxolanyl]-2-oxo-4-pyrimidinyl]benzamide IUPAC Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-tritylsulfanyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide Traditional Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphino]oxy-3-(tritylthio)tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]benzamide Formula: C65H66N5O8PS MolecularWeight: 1108.287001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)COC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)COC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC

InChI

InChI=1S/C65H66N5O8PS/c1-46(2)70(47(3)4)79(76-44-22-42-66)78-59-57(45-75-64(49-25-14-8-15-26-49,50-33-37-55(73-5)38-34-50)51-35-39-56(74-6)40-36-51)77-62(69-43-41-58(68-63(69)72)67-61(71)48-23-12-7-13-24-48)60(59)80-65(52-27-16-9-17-28-52,53-29-18-10-19-30-53)54-31-20-11-21-32-54/h7-21,23-41,43,46-47,57,59-60,62H,22,44-45H2,1-6H3,(H,67,68,71,72)/t57-,59-,60-,62-,79?/m1/s1