3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Systemtic Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Openeye Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-5-methyl-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxypropanenitrile CAS Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-5-methyl-2,4-dioxo-1-pyrimidinyl]-3-oxolanyl]oxy-[di(propan-2-yl)amino]phosphino]oxypropanenitrile IUPAC Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Traditional Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-2,4-diketo-5-methyl-pyrimidin-1-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphino]oxypropionitrile Formula: C46H61N4O8PS2 MolecularWeight: 893.102301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N(C1=O)CCSSC(C)(C)C)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N

Isomeric SMILES

CC1=CN(C(=O)N(C1=O)CCSSC(C)(C)C)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N

InChI

InChI=1S/C46H61N4O8PS2/c1-32(2)50(33(3)4)59(56-27-14-25-47)58-40-29-42(49-30-34(5)43(51)48(44(49)52)26-28-60-61-45(6,7)8)57-41(40)31-55-46(35-15-12-11-13-16-35,36-17-21-38(53-9)22-18-36)37-19-23-39(54-10)24-20-37/h11-13,15-24,30,32-33,40-42H,14,26-29,31H2,1-10H3/t40-,41+,42+,59?/m0/s1