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

Systemtic Name: 3-[[(2R,3S,5R)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Openeye Name: 3-[[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxypropanenitrile CAS Name: 3-[[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl]oxy-[di(propan-2-yl)amino]phosphino]oxypropanenitrile IUPAC Name: 3-[[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Traditional Name: 3-[[(2R,3S,5R)-5-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphino]oxypropionitrile Formula: C39H47FN5O7P MolecularWeight: 747.791944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=NC5=O)N)F

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=NC5=O)N)F

InChI

InChI=1S/C39H47FN5O7P/c1-26(2)45(27(3)4)53(50-22-10-21-41)52-34-23-36(44-24-33(40)37(42)43-38(44)46)51-35(34)25-49-39(28-11-8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-30/h7-9,11-20,24,26-27,34-36H,10,22-23,25H2,1-6H3,(H2,42,43,46)/t34-,35+,36+,53?/m0/s1