N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-8-prop-1-ynyl-purin-6-yl]benzamide

Systemtic Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-8-prop-1-ynyl-purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]-8-prop-1-ynyl-purin-6-yl]benzamide CAS Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxy-2-oxolanyl]-8-prop-1-ynyl-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-8-prop-1-ynylpurin-6-yl]benzamide Traditional Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphino]oxy-tetrahydrofuran-2-yl]-8-prop-1-ynyl-purin-6-yl]benzamide Formula: C50H54N7O7P MolecularWeight: 895.980221

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=NC2=C(N1C3CC(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)OCCC#N)N=CN=C2NC(=O)C7=CC=CC=C7

Isomeric SMILES

CC#CC1=NC2=C(N1[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)OCCC#N)N=CN=C2NC(=O)C7=CC=CC=C7

InChI

InChI=1S/C50H54N7O7P/c1-8-16-44-54-46-47(55-49(58)36-17-11-9-12-18-36)52-33-53-48(46)56(44)45-31-42(64-65(62-30-15-29-51)57(34(2)3)35(4)5)43(63-45)32-61-50(37-19-13-10-14-20-37,38-21-25-40(59-6)26-22-38)39-23-27-41(60-7)28-24-39/h9-14,17-28,33-35,42-43,45H,15,30-32H2,1-7H3,(H,52,53,55,58)/t42-,43+,45+,65?/m0/s1