N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-3-bromanyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-methanimidamide

Systemtic Name: N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-3-bromanyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-methanimidamide Openeye Name: N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]-3-bromo-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-formamidine CAS Name: N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxy-2-oxolanyl]-3-bromo-4-pyrazolo[3,4-d]pyrimidinyl]-N,N-dimethylmethanimidamide IUPAC Name: N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-3-bromopyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide Traditional Name: N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphino]oxy-tetrahydrofuran-2-yl]-3-bromo-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-formamidine Formula: C43H52BrN8O6P MolecularWeight: 887.800741

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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)N5C6=NC=NC(=C6C(=N5)Br)N=CN(C)C

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)N5C6=NC=NC(=C6C(=N5)Br)/N=C/N(C)C

InChI

InChI=1S/C43H52BrN8O6P/c1-29(2)52(30(3)4)59(56-24-12-23-45)58-36-25-38(51-42-39(40(44)49-51)41(46-27-47-42)48-28-50(5)6)57-37(36)26-55-43(31-13-10-9-11-14-31,32-15-19-34(53-7)20-16-32)33-17-21-35(54-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3/b48-28+/t36-,37+,38+,59?/m0/s1