3-[[(2R,3S,5R)-2-[[3,4-bis(phenylmethoxy)phenyl]methoxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)-3-[2-(phenylsulfonyl)ethyl]pyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Systemtic Name: 3-[[(2R,3S,5R)-2-[[3,4-bis(phenylmethoxy)phenyl]methoxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)-3-[2-(phenylsulfonyl)ethyl]pyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Openeye Name: 3-[[(2R,3S,5R)-5-[3-[2-(benzenesulfonyl)ethyl]-5-methyl-2,4-dioxo-pyrimidin-1-yl]-2-[(3,4-dibenzyloxyphenyl)methoxymethyl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxypropanenitrile CAS Name: 3-[[(2R,3S,5R)-5-[3-[2-(benzenesulfonyl)ethyl]-5-methyl-2,4-dioxo-1-pyrimidinyl]-2-[[3,4-bis(phenylmethoxy)phenyl]methoxymethyl]-3-oxolanyl]oxy-[di(propan-2-yl)amino]phosphino]oxypropanenitrile IUPAC Name: 3-[[(2R,3S,5R)-5-[3-[2-(benzenesulfonyl)ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[[3,4-bis(phenylmethoxy)phenyl]methoxymethyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Traditional Name: 3-[[(2R,3S,5R)-5-[3-(2-besylethyl)-2,4-diketo-5-methyl-pyrimidin-1-yl]-2-[(3,4-dibenzoxybenzyl)oxymethyl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphino]oxypropionitrile Formula: C48H57N4O10PS MolecularWeight: 913.025741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N(C1=O)CCS(=O)(=O)C2=CC=CC=C2)C3CC(C(O3)COCC4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OP(N(C(C)C)C(C)C)OCCC#N

Isomeric SMILES

CC1=CN(C(=O)N(C1=O)CCS(=O)(=O)C2=CC=CC=C2)[C@H]3C[C@@H]([C@H](O3)COCC4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OP(N(C(C)C)C(C)C)OCCC#N

InChI

InChI=1S/C48H57N4O10PS/c1-35(2)52(36(3)4)63(60-26-15-24-49)62-44-29-46(51-30-37(5)47(53)50(48(51)54)25-27-64(55,56)41-20-13-8-14-21-41)61-45(44)34-57-31-40-22-23-42(58-32-38-16-9-6-10-17-38)43(28-40)59-33-39-18-11-7-12-19-39/h6-14,16-23,28,30,35-36,44-46H,15,25-27,29,31-34H2,1-5H3/t44-,45+,46+,63?/m0/s1