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]-6-oxidanylidene-8-prop-1-ynyl-3H-purin-2-yl]-2-methyl-propanamide

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]-6-oxidanylidene-8-prop-1-ynyl-3H-purin-2-yl]-2-methyl-propanamide Openeye Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]-6-oxo-8-prop-1-ynyl-3H-purin-2-yl]-2-methyl-propanamide 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]-6-oxo-8-prop-1-ynyl-3H-purin-2-yl]-2-methylpropanamide 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]-6-oxo-8-prop-1-ynyl-3H-purin-2-yl]-2-methylpropanamide Traditional Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphino]oxy-tetrahydrofuran-2-yl]-6-keto-8-prop-1-ynyl-3H-purin-2-yl]-2-methyl-propionamide Formula: C47H56N7O8P MolecularWeight: 877.963401

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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)NC(=NC2=O)NC(=O)C(C)C

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)NC(=NC2=O)NC(=O)C(C)C

InChI

InChI=1S/C47H56N7O8P/c1-10-15-40-49-42-43(50-46(52-45(42)56)51-44(55)30(2)3)53(40)41-28-38(62-63(60-27-14-26-48)54(31(4)5)32(6)7)39(61-41)29-59-47(33-16-12-11-13-17-33,34-18-22-36(57-8)23-19-34)35-20-24-37(58-9)25-21-35/h11-13,16-25,30-32,38-39,41H,14,27-29H2,1-9H3,(H2,50,51,52,55,56)/t38-,39+,41+,63?/m0/s1