3-[[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2-[2,4-bis(oxidanylidene)-3-(phenylcarbonyl)pyrimidin-1-yl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-3-yl]oxy-(1-cyano-2-methyl-propan-2-yl)oxy-phosphinothioyl]oxy-3-methyl-butanenitrile

Systemtic Name: 3-[[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2-[2,4-bis(oxidanylidene)-3-(phenylcarbonyl)pyrimidin-1-yl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-3-yl]oxy-(1-cyano-2-methyl-propan-2-yl)oxy-phosphinothioyl]oxy-3-methyl-butanenitrile Openeye Name: 3-[[(2R,3R,4R,5R)-2-(3-benzoyl-2,4-dioxo-pyrimidin-1-yl)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-3-yl]oxy-(2-cyano-1,1-dimethyl-ethoxy)phosphinothioyl]oxy-3-methyl-butanenitrile CAS Name: 3-[[(2R,3R,4R,5R)-2-(3-benzoyl-2,4-dioxo-1-pyrimidinyl)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxy-3-oxolanyl]oxy-(1-cyano-2-methylpropan-2-yl)oxyphosphinothioyl]oxy-3-methylbutanenitrile IUPAC Name: 3-[[(2R,3R,4R,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-3-yl]oxy-(1-cyano-2-methylpropan-2-yl)oxyphosphinothioyl]oxy-3-methylbutanenitrile Traditional Name: 3-[[(2R,3R,4R,5R)-2-(3-benzoyl-2,4-diketo-pyrimidin-1-yl)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphino]oxy-tetrahydrofuran-3-yl]oxy-(2-cyano-1,1-dimethyl-ethoxy)thiophosphoryl]oxy-3-methyl-butyronitrile Formula: C56H66N6O12P2S MolecularWeight: 1109.168762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1OP(=S)(OC(C)(C)CC#N)OC(C)(C)CC#N)N2C=CC(=O)N(C2=O)C(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1OP(=S)(OC(C)(C)CC#N)OC(C)(C)CC#N)N2C=CC(=O)N(C2=O)C(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

InChI

InChI=1S/C56H66N6O12P2S/c1-39(2)62(40(3)4)75(69-37-17-33-57)71-49-47(38-68-56(42-20-15-12-16-21-42,43-22-26-45(66-9)27-23-43)44-24-28-46(67-10)29-25-44)70-52(60-36-30-48(63)61(53(60)65)51(64)41-18-13-11-14-19-41)50(49)72-76(77,73-54(5,6)31-34-58)74-55(7,8)32-35-59/h11-16,18-30,36,39-40,47,49-50,52H,17,31-32,37-38H2,1-10H3/t47-,49-,50-,52-,75?/m1/s1