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]-2-prop-2-enoxy-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]-2-prop-2-enoxy-purin-6-yl]benzamide Openeye Name: N-[2-allyloxy-9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]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]-2-prop-2-enoxy-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]-2-prop-2-enoxypurin-6-yl]benzamide Traditional Name: N-[2-allyloxy-9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphino]oxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C50H56N7O8P MolecularWeight: 913.995501

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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=NC6=C5N=C(N=C6NC(=O)C7=CC=CC=C7)OCC=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)N5C=NC6=C5N=C(N=C6NC(=O)C7=CC=CC=C7)OCC=C

InChI

InChI=1S/C50H56N7O8P/c1-8-29-61-49-54-46(53-48(58)36-16-11-9-12-17-36)45-47(55-49)56(33-52-45)44-31-42(65-66(63-30-15-28-51)57(34(2)3)35(4)5)43(64-44)32-62-50(37-18-13-10-14-19-37,38-20-24-40(59-6)25-21-38)39-22-26-41(60-7)27-23-39/h8-14,16-27,33-35,42-44H,1,15,29-32H2,2-7H3,(H,53,54,55,58)/t42-,43+,44+,66?/m0/s1