4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxy-N-tert-butyl-butanamide

Systemtic Name: 4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxy-N-tert-butyl-butanamide Openeye Name: 4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(isobutylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxy-N-tert-butyl-butanamide CAS Name: 4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropylamino)-6-oxo-3H-purin-9-yl]-3-oxolanyl]oxy-[di(propan-2-yl)amino]phosphino]oxy-N-tert-butylbutanamide IUPAC Name: 4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxy-N-tert-butylbutanamide Traditional Name: 4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(isobutylamino)-6-keto-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphino]oxy-N-tert-butyl-butyramide Formula: C49H68N7O8P MolecularWeight: 914.080081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCCC(=O)NC(C)(C)C

Isomeric SMILES

CC(C)CNC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCCC(=O)NC(C)(C)C

InChI

InChI=1S/C49H68N7O8P/c1-32(2)29-50-47-52-45-44(46(58)53-47)51-31-55(45)43-28-40(64-65(56(33(3)4)34(5)6)62-27-15-18-42(57)54-48(7,8)9)41(63-43)30-61-49(35-16-13-12-14-17-35,36-19-23-38(59-10)24-20-36)37-21-25-39(60-11)26-22-37/h12-14,16-17,19-26,31-34,40-41,43H,15,18,27-30H2,1-11H3,(H,54,57)(H2,50,52,53,58)/t40-,41+,43+,65?/m0/s1